5-cyclopropyl-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-1H-pyrazole-3-carboxamide

C22H34N6O — CID 110092648

IUPAC5-cyclopropyl-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCN(C)Cc1cc(C2CCC(CN(C)C(=O)c3cc(C4CC4)[nH]n3)CC2)nn1C
InChIInChI=1S/C22H34N6O/c1-26(2)14-18-11-20(25-28(18)4)17-7-5-15(6-8-17)13-27(3)22(29)21-12-19(23-24-21)16-9-10-16/h11-12,15-17H,5-10,13-14H2,1-4H3,(H,23,24)
InChIKeyGZQYTOGQCLSPPQ-UHFFFAOYSA-N
MW398.56 g/mol
LogP3.13
Rot. Bonds7

About 5-cyclopropyl-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 110092648) has the molecular formula C22H34N6O and a molecular weight of 398.56 g/mol. Its IUPAC name is 5-cyclopropyl-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID110092648
Molecular FormulaC22H34N6O
Molecular Weight398.56 g/mol
Exact Mass398.28
IUPAC Name5-cyclopropyl-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCN(C)Cc1cc(C2CCC(CN(C)C(=O)c3cc(C4CC4)[nH]n3)CC2)nn1C
InChIInChI=1S/C22H34N6O/c1-26(2)14-18-11-20(25-28(18)4)17-7-5-15(6-8-17)13-27(3)22(29)21-12-19(23-24-21)16-9-10-16/h11-12,15-17H,5-10,13-14H2,1-4H3,(H,23,24)
InChIKeyGZQYTOGQCLSPPQ-UHFFFAOYSA-N
XLogP3.13
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.56
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylpyrazine-2-carboxamide
CID 110092632
N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110092646
N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylethanesulfonamide
CID 98129330
N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-2-(methanesulfonamido)-N-methylacetamide
CID 110092633
(2R)-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-phenylpropanamide
CID 125011836
N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-[(2R)-oxolan-2-yl]acetamide
CID 98129348
[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 92624522
[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-piperidin-3-ylmethanone
CID 110259661
5-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 128984638
5-cyclopropyl-N-[(3-fluorophenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 25341933
N-methyl-N-[[4-[1-methyl-5-(methylaminomethyl)pyrazol-3-yl]cyclohexyl]methyl]-2-propan-2-yloxyacetamide
CID 98129361
5-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 51097092

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-1H-pyrazole-3-carboxamide (CID 110092648) is 5-cyclopropyl-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-1H-pyrazole-3-carboxamide is CN(C)Cc1cc(C2CCC(CN(C)C(=O)c3cc(C4CC4)[nH]n3)CC2)nn1C.
What is the InChIKey of 5-cyclopropyl-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is GZQYTOGQCLSPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O/c1-26(2)14-18-11-20(25-28(18)4)17-7-5-15(6-8-17)13-27(3)22(29)21-12-19(23-24-21)16-9-10-16/h11-12,15-17H,5-10,13-14H2,1-4H3,(H,23,24).
What are the key properties of 5-cyclopropyl-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 398.56 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 110092648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).