1-N,4-N-bis[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1,4-dicarboxamide

C22H36N8O2 — CID 167816670

IUPAC1-N,4-N-bis[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1,4-dicarboxamide
SMILESCN(C)CCn1nccc1NC(=O)C1CCC(C(=O)Nc2ccnn2CCN(C)C)CC1
InChIInChI=1S/C22H36N8O2/c1-27(2)13-15-29-19(9-11-23-29)25-21(31)17-5-7-18(8-6-17)22(32)26-20-10-12-24-30(20)16-14-28(3)4/h9-12,17-18H,5-8,13-16H2,1-4H3,(H,25,31)(H,26,32)
InChIKeyOQKFXZDUJJMULE-UHFFFAOYSA-N
MW444.58 g/mol
LogP1.59
Rot. Bonds10

About 1-N,4-N-bis[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1,4-dicarboxamide

1-N,4-N-bis[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1,4-dicarboxamide (PubChem CID 167816670) has the molecular formula C22H36N8O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 1-N,4-N-bis[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1,4-dicarboxamide
PubChem CID167816670
Molecular FormulaC22H36N8O2
Molecular Weight444.58 g/mol
Exact Mass444.30
IUPAC Name1-N,4-N-bis[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1,4-dicarboxamide
SMILESCN(C)CCn1nccc1NC(=O)C1CCC(C(=O)Nc2ccnn2CCN(C)C)CC1
InChIInChI=1S/C22H36N8O2/c1-27(2)13-15-29-19(9-11-23-29)25-21(31)17-5-7-18(8-6-17)22(32)26-20-10-12-24-30(20)16-14-28(3)4/h9-12,17-18H,5-8,13-16H2,1-4H3,(H,25,31)(H,26,32)
InChIKeyOQKFXZDUJJMULE-UHFFFAOYSA-N
XLogP1.59
TPSA100.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(1R)-N-(2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide
CID 38995892
N-(2-butylpyrazol-3-yl)piperidine-4-carboxamide
CID 119286988
N-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 154786818
tert-butyl 4-[[2-(2-methylpropyl)pyrazol-3-yl]carbamoyl]piperidine-1-carboxylate
CID 60601124
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 38996984
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
CID 18193306
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 78845819
N-(2-butylpyrazol-3-yl)piperidine-3-carboxamide
CID 119286994
1-N,4-N-bis(pyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-dicarboxamide
CID 56573678
N-(2-methylpyrazol-3-yl)-4-oxocyclohexane-1-carboxamide
CID 112524854
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 17406614
N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]cyclobutanecarboxamide
CID 8911676

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1,4-dicarboxamide (CID 167816670) is 1-N,4-N-bis[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1,4-dicarboxamide is CN(C)CCn1nccc1NC(=O)C1CCC(C(=O)Nc2ccnn2CCN(C)C)CC1.
What is the InChIKey of 1-N,4-N-bis[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1,4-dicarboxamide?
The InChIKey is OQKFXZDUJJMULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N8O2/c1-27(2)13-15-29-19(9-11-23-29)25-21(31)17-5-7-18(8-6-17)22(32)26-20-10-12-24-30(20)16-14-28(3)4/h9-12,17-18H,5-8,13-16H2,1-4H3,(H,25,31)(H,26,32).
What are the key properties of 1-N,4-N-bis[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1,4-dicarboxamide?
1-N,4-N-bis[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1,4-dicarboxamide has a molecular weight of 444.58 g/mol, XLogP of 1.59, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 167816670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).