N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide

C20H19ClN4O — CID 51495960

IUPACN-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C2CC2)cc1C(=O)N[C@@H](c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN4O/c1-25-18(12-17(24-25)13-2-3-13)20(26)23-19(15-8-10-22-11-9-15)14-4-6-16(21)7-5-14/h4-13,19H,2-3H2,1H3,(H,23,26)/t19-/m1/s1
InChIKeyBHTBACCJQGLZKK-LJQANCHMSA-N
MW366.85 g/mol
LogP3.87
Rot. Bonds5

About N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide

N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide (PubChem CID 51495960) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide
PubChem CID51495960
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C2CC2)cc1C(=O)N[C@@H](c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN4O/c1-25-18(12-17(24-25)13-2-3-13)20(26)23-19(15-8-10-22-11-9-15)14-4-6-16(21)7-5-14/h4-13,19H,2-3H2,1H3,(H,23,26)/t19-/m1/s1
InChIKeyBHTBACCJQGLZKK-LJQANCHMSA-N
XLogP3.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 110245206
2-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]propanoic acid
CID 155272214
3-cyclopropyl-1-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrazole-5-carboxamide
CID 51498459
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide
CID 164939962
N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide
CID 164846779
N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-2-(methylamino)acetamide
CID 95555613
3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride
CID 133054193
N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-imidazole-4-carboxamide
CID 95549573
N-benzhydryl-2,5-dimethylpyrazole-3-carboxamide
CID 87023695
N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 91765018
5-cyclopropyl-N-[phenyl(pyridin-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 74235280
2-bromo-5-chloro-N-[phenyl(pyridin-4-yl)methyl]benzamide
CID 78849670

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide (CID 51495960) is N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide is Cn1nc(C2CC2)cc1C(=O)N[C@@H](c1ccncc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide?
The InChIKey is BHTBACCJQGLZKK-LJQANCHMSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-25-18(12-17(24-25)13-2-3-13)20(26)23-19(15-8-10-22-11-9-15)14-4-6-16(21)7-5-14/h4-13,19H,2-3H2,1H3,(H,23,26)/t19-/m1/s1.
What are the key properties of N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide?
N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 51495960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).