1-benzyl-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrazole-4-carboxamide

C20H22N4O — CID 95980990

IUPAC1-benzyl-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrazole-4-carboxamide
SMILESCC[C@H](c1ccncc1)N(C)C(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C20H22N4O/c1-3-19(17-9-11-21-12-10-17)23(2)20(25)18-13-22-24(15-18)14-16-7-5-4-6-8-16/h4-13,15,19H,3,14H2,1-2H3/t19-/m1/s1
InChIKeyDCHWDSISUHASQM-LJQANCHMSA-N
MW334.42 g/mol
LogP3.55
Rot. Bonds6

About 1-benzyl-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrazole-4-carboxamide

1-benzyl-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrazole-4-carboxamide (PubChem CID 95980990) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-benzyl-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrazole-4-carboxamide
PubChem CID95980990
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-benzyl-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrazole-4-carboxamide
SMILESCC[C@H](c1ccncc1)N(C)C(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C20H22N4O/c1-3-19(17-9-11-21-12-10-17)23(2)20(25)18-13-22-24(15-18)14-16-7-5-4-6-8-16/h4-13,15,19H,3,14H2,1-2H3/t19-/m1/s1
InChIKeyDCHWDSISUHASQM-LJQANCHMSA-N
XLogP3.55
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-ethyl-N-methylpyrazole-4-carboxamide
CID 86926836
1-benzyl-N-[2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide
CID 42894629
1-benzyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide
CID 27230847
1-benzyl-N-[2-(diethylamino)-2-phenylethyl]pyrazole-4-carboxamide
CID 18167165
N-methyl-N-(1-pyridin-4-ylpropyl)acetamide
CID 170313482
(1-benzylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226790
1-benzylpyrazole-4-carbohydrazide
CID 83386286
1-benzyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide
CID 18117356
(2R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-phenylbutanamide
CID 51925794
2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]acetamide
CID 129381110
1-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide
CID 29221167
1-(pyridin-3-ylmethyl)pyrazole-4-carboxylic acid
CID 43565330

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrazole-4-carboxamide (CID 95980990) is 1-benzyl-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrazole-4-carboxamide is CC[C@H](c1ccncc1)N(C)C(=O)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrazole-4-carboxamide?
The InChIKey is DCHWDSISUHASQM-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22N4O/c1-3-19(17-9-11-21-12-10-17)23(2)20(25)18-13-22-24(15-18)14-16-7-5-4-6-8-16/h4-13,15,19H,3,14H2,1-2H3/t19-/m1/s1.
What are the key properties of 1-benzyl-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrazole-4-carboxamide?
1-benzyl-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrazole-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrazole-4-carboxamide is sourced from PubChem (CID 95980990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).