N-[3-(cyclohexylamino)-3-oxopropyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide

C19H23FN4O2 — CID 47894388

IUPACN-[3-(cyclohexylamino)-3-oxopropyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide
SMILESO=C(CCNC(=O)c1ccn(-c2cccc(F)c2)n1)NC1CCCCC1
InChIInChI=1S/C19H23FN4O2/c20-14-5-4-8-16(13-14)24-12-10-17(23-24)19(26)21-11-9-18(25)22-15-6-2-1-3-7-15/h4-5,8,10,12-13,15H,1-3,6-7,9,11H2,(H,21,26)(H,22,25)
InChIKeyPDEOREAOMMQVCE-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.58
Rot. Bonds6

About N-[3-(cyclohexylamino)-3-oxopropyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide

N-[3-(cyclohexylamino)-3-oxopropyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 47894388) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[3-(cyclohexylamino)-3-oxopropyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclohexylamino)-3-oxopropyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide
PubChem CID47894388
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC NameN-[3-(cyclohexylamino)-3-oxopropyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide
SMILESO=C(CCNC(=O)c1ccn(-c2cccc(F)c2)n1)NC1CCCCC1
InChIInChI=1S/C19H23FN4O2/c20-14-5-4-8-16(13-14)24-12-10-17(23-24)19(26)21-11-9-18(25)22-15-6-2-1-3-7-15/h4-5,8,10,12-13,15H,1-3,6-7,9,11H2,(H,21,26)(H,22,25)
InChIKeyPDEOREAOMMQVCE-UHFFFAOYSA-N
XLogP2.58
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 47855978
N-cyclohexyl-4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxamide
CID 47924929
N-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38701604
N-[2-(cycloheptylamino)ethyl]-1-phenylpyrazole-3-carboxamide
CID 119621404
1-(3-chlorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-3-carboxamide
CID 55924272
N-[3-(cyclopentylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 86828824
N-[(3R)-1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]acetamide
CID 94801589
1-(3-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-3-carbohydrazide
CID 47879002
4-[[1-(3-fluorophenyl)-4-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 75429283
[(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 124573470
N-cyclooctyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylacetamide
CID 86889898
1-(3-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
CID 111480306

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide (CID 47894388) is N-[3-(cyclohexylamino)-3-oxopropyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(cyclohexylamino)-3-oxopropyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[3-(cyclohexylamino)-3-oxopropyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide is O=C(CCNC(=O)c1ccn(-c2cccc(F)c2)n1)NC1CCCCC1.
What is the InChIKey of N-[3-(cyclohexylamino)-3-oxopropyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is PDEOREAOMMQVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c20-14-5-4-8-16(13-14)24-12-10-17(23-24)19(26)21-11-9-18(25)22-15-6-2-1-3-7-15/h4-5,8,10,12-13,15H,1-3,6-7,9,11H2,(H,21,26)(H,22,25).
What are the key properties of N-[3-(cyclohexylamino)-3-oxopropyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide?
N-[3-(cyclohexylamino)-3-oxopropyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylamino)-3-oxopropyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 47894388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).