N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-propan-2-ylpyrazole-3-carboxamide

C19H19ClN4O — CID 110245206

IUPACN-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)NC(c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN4O/c1-13(2)24-17(9-12-22-24)19(25)23-18(15-7-10-21-11-8-15)14-3-5-16(20)6-4-14/h3-13,18H,1-2H3,(H,23,25)
InChIKeyUETGUIQLWUHIRT-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.03
Rot. Bonds5

About N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-propan-2-ylpyrazole-3-carboxamide

N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 110245206) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-propan-2-ylpyrazole-3-carboxamide
PubChem CID110245206
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC NameN-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)NC(c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN4O/c1-13(2)24-17(9-12-22-24)19(25)23-18(15-7-10-21-11-8-15)14-3-5-16(20)6-4-14/h3-13,18H,1-2H3,(H,23,25)
InChIKeyUETGUIQLWUHIRT-UHFFFAOYSA-N
XLogP4.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide
CID 51495960
N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-2-(methylamino)acetamide
CID 95555613
N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-imidazole-4-carboxamide
CID 95549573
N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-(hydroxymethyl)furan-2-carboxamide
CID 99938366
2-propan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 146084407
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
2-(difluoromethyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]pyrazole-3-carboxamide
CID 51596087
2-propan-2-yl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyrazole-3-carboxamide
CID 126443700
1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(1-pyridin-4-ylethyl)urea
CID 86999645
1-[(4-chlorophenyl)methyl]-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]triazole-4-carboxamide
CID 26393289
N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 91765018
2-propan-2-ylpyrazole-3-carboxylate
CID 7276397

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-propan-2-ylpyrazole-3-carboxamide (CID 110245206) is N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-propan-2-ylpyrazole-3-carboxamide is CC(C)n1nccc1C(=O)NC(c1ccncc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is UETGUIQLWUHIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-13(2)24-17(9-12-22-24)19(25)23-18(15-7-10-21-11-8-15)14-3-5-16(20)6-4-14/h3-13,18H,1-2H3,(H,23,25).
What are the key properties of N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-propan-2-ylpyrazole-3-carboxamide?
N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 110245206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).