1-methyl-N-[(1R,2R)-2-methylcyclopropyl]-3-pyridin-3-ylpyrazole-5-carboxamide

C14H16N4O — CID 138029000

IUPAC1-methyl-N-[(1R,2R)-2-methylcyclopropyl]-3-pyridin-3-ylpyrazole-5-carboxamide
SMILESC[C@@H]1C[C@H]1NC(=O)c1cc(-c2cccnc2)nn1C
InChIInChI=1S/C14H16N4O/c1-9-6-11(9)16-14(19)13-7-12(17-18(13)2)10-4-3-5-15-8-10/h3-5,7-9,11H,6H2,1-2H3,(H,16,19)/t9-,11-/m1/s1
InChIKeyKPZWDNUBEMNTOY-MWLCHTKSSA-N
MW256.31 g/mol
LogP1.62
Rot. Bonds3

About 1-methyl-N-[(1R,2R)-2-methylcyclopropyl]-3-pyridin-3-ylpyrazole-5-carboxamide

1-methyl-N-[(1R,2R)-2-methylcyclopropyl]-3-pyridin-3-ylpyrazole-5-carboxamide (PubChem CID 138029000) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-methyl-N-[(1R,2R)-2-methylcyclopropyl]-3-pyridin-3-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1R,2R)-2-methylcyclopropyl]-3-pyridin-3-ylpyrazole-5-carboxamide
PubChem CID138029000
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-methyl-N-[(1R,2R)-2-methylcyclopropyl]-3-pyridin-3-ylpyrazole-5-carboxamide
SMILESC[C@@H]1C[C@H]1NC(=O)c1cc(-c2cccnc2)nn1C
InChIInChI=1S/C14H16N4O/c1-9-6-11(9)16-14(19)13-7-12(17-18(13)2)10-4-3-5-15-8-10/h3-5,7-9,11H,6H2,1-2H3,(H,16,19)/t9-,11-/m1/s1
InChIKeyKPZWDNUBEMNTOY-MWLCHTKSSA-N
XLogP1.62
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 146109119
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methyl-3-pyridin-3-ylpyrazole-5-carboxamide
CID 136587890
3-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42758604
2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
CID 126936292
1-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-3-pyridin-3-ylpyrazole-5-carboxamide
CID 166377453
N-(2-aminospiro[2.3]hexan-5-yl)-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide
CID 138012008
N-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 96556888
3-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]imidazole-4-carboxamide
CID 56884150
N-[(1S,2R)-2-methylcyclopropyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 95702546
N-[(1R,2R)-2-methylcyclopropyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 95702548
4-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide
CID 121020097
1-methyl-3-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide
CID 71800507

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1R,2R)-2-methylcyclopropyl]-3-pyridin-3-ylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[(1R,2R)-2-methylcyclopropyl]-3-pyridin-3-ylpyrazole-5-carboxamide (CID 138029000) is 1-methyl-N-[(1R,2R)-2-methylcyclopropyl]-3-pyridin-3-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1R,2R)-2-methylcyclopropyl]-3-pyridin-3-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[(1R,2R)-2-methylcyclopropyl]-3-pyridin-3-ylpyrazole-5-carboxamide is C[C@@H]1C[C@H]1NC(=O)c1cc(-c2cccnc2)nn1C.
What is the InChIKey of 1-methyl-N-[(1R,2R)-2-methylcyclopropyl]-3-pyridin-3-ylpyrazole-5-carboxamide?
The InChIKey is KPZWDNUBEMNTOY-MWLCHTKSSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-6-11(9)16-14(19)13-7-12(17-18(13)2)10-4-3-5-15-8-10/h3-5,7-9,11H,6H2,1-2H3,(H,16,19)/t9-,11-/m1/s1.
What are the key properties of 1-methyl-N-[(1R,2R)-2-methylcyclopropyl]-3-pyridin-3-ylpyrazole-5-carboxamide?
1-methyl-N-[(1R,2R)-2-methylcyclopropyl]-3-pyridin-3-ylpyrazole-5-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1R,2R)-2-methylcyclopropyl]-3-pyridin-3-ylpyrazole-5-carboxamide is sourced from PubChem (CID 138029000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).