1-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide

C22H32N4O — CID 70767251

IUPAC1-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCc1ccccc1CN1CCC(CNC(=O)c2cc(CC(C)C)nn2C)C1
InChIInChI=1S/C22H32N4O/c1-16(2)11-20-12-21(25(4)24-20)22(27)23-13-18-9-10-26(14-18)15-19-8-6-5-7-17(19)3/h5-8,12,16,18H,9-11,13-15H2,1-4H3,(H,23,27)
InChIKeyFXFCDHHNJNNMLT-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.18
Rot. Bonds7

About 1-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide

1-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 70767251) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 1-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID70767251
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name1-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCc1ccccc1CN1CCC(CNC(=O)c2cc(CC(C)C)nn2C)C1
InChIInChI=1S/C22H32N4O/c1-16(2)11-20-12-21(25(4)24-20)22(27)23-13-18-9-10-26(14-18)15-19-8-6-5-7-17(19)3/h5-8,12,16,18H,9-11,13-15H2,1-4H3,(H,23,27)
InChIKeyFXFCDHHNJNNMLT-UHFFFAOYSA-N
XLogP3.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 118778620
N-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide
CID 124750984
2,4-dimethyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 95199376
[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 95426769
N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide
CID 126424203
N-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-(tetrazol-1-yl)butanamide
CID 125156142
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 125168955
3-(2-methylbenzimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 131903613
N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-3-oxopiperazine-1-carboxamide
CID 122568839
N-[[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxybenzamide
CID 56707945
1-[(4-methylphenyl)methyl]-3-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 23609242
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxypyridine-2-carboxamide
CID 56709536

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide (CID 70767251) is 1-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide is Cc1ccccc1CN1CCC(CNC(=O)c2cc(CC(C)C)nn2C)C1.
What is the InChIKey of 1-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is FXFCDHHNJNNMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-16(2)11-20-12-21(25(4)24-20)22(27)23-13-18-9-10-26(14-18)15-19-8-6-5-7-17(19)3/h5-8,12,16,18H,9-11,13-15H2,1-4H3,(H,23,27).
What are the key properties of 1-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
1-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 368.53 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 70767251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).