2-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyridine-4-carboxamide

C18H16ClFN4O — CID 55592587

IUPAC2-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyridine-4-carboxamide
SMILESCc1c(C(C)NC(=O)c2ccnc(Cl)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H16ClFN4O/c1-11(23-18(25)13-7-8-21-17(19)9-13)16-10-22-24(12(16)2)15-5-3-14(20)4-6-15/h3-11H,1-2H3,(H,23,25)
InChIKeyBTQHGMKXMHAJOS-UHFFFAOYSA-N
MW358.80 g/mol
LogP3.86
Rot. Bonds4

About 2-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyridine-4-carboxamide

2-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyridine-4-carboxamide (PubChem CID 55592587) has the molecular formula C18H16ClFN4O and a molecular weight of 358.80 g/mol. Its IUPAC name is 2-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyridine-4-carboxamide
PubChem CID55592587
Molecular FormulaC18H16ClFN4O
Molecular Weight358.80 g/mol
Exact Mass358.10
IUPAC Name2-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyridine-4-carboxamide
SMILESCc1c(C(C)NC(=O)c2ccnc(Cl)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H16ClFN4O/c1-11(23-18(25)13-7-8-21-17(19)9-13)16-10-22-24(12(16)2)15-5-3-14(20)4-6-15/h3-11H,1-2H3,(H,23,25)
InChIKeyBTQHGMKXMHAJOS-UHFFFAOYSA-N
XLogP3.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyridine-3-carboxamide
CID 134034869
3-(carbamoylamino)-N-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide
CID 51938666
4-(carbamoylamino)-N-[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide
CID 51938669
4-(2-amino-2-oxoethoxy)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-methoxybenzamide
CID 55617179
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(trifluoromethoxy)benzamide
CID 55592880
4-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-nitrobenzamide
CID 55578069
N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1H-imidazol-2-yl)benzamide
CID 25287126
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55578970
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55761547
(2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 52523485
(2S)-N-[2-[[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 52523483
2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridine-4-carboxamide
CID 47443000

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyridine-4-carboxamide (CID 55592587) is 2-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyridine-4-carboxamide is Cc1c(C(C)NC(=O)c2ccnc(Cl)c2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 2-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyridine-4-carboxamide?
The InChIKey is BTQHGMKXMHAJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O/c1-11(23-18(25)13-7-8-21-17(19)9-13)16-10-22-24(12(16)2)15-5-3-14(20)4-6-15/h3-11H,1-2H3,(H,23,25).
What are the key properties of 2-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyridine-4-carboxamide?
2-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyridine-4-carboxamide has a molecular weight of 358.80 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 55592587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).