3-[[1-(2-fluorophenyl)pyrazol-4-yl]carbamoylamino]-N-propan-2-ylpropanamide

C16H20FN5O2 — CID 71856029

IUPAC3-[[1-(2-fluorophenyl)pyrazol-4-yl]carbamoylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNC(=O)Nc1cnn(-c2ccccc2F)c1
InChIInChI=1S/C16H20FN5O2/c1-11(2)20-15(23)7-8-18-16(24)21-12-9-19-22(10-12)14-6-4-3-5-13(14)17/h3-6,9-11H,7-8H2,1-2H3,(H,20,23)(H2,18,21,24)
InChIKeyCCKDXEBIQAPMGD-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.05
Rot. Bonds6

About 3-[[1-(2-fluorophenyl)pyrazol-4-yl]carbamoylamino]-N-propan-2-ylpropanamide

3-[[1-(2-fluorophenyl)pyrazol-4-yl]carbamoylamino]-N-propan-2-ylpropanamide (PubChem CID 71856029) has the molecular formula C16H20FN5O2 and a molecular weight of 333.37 g/mol. Its IUPAC name is 3-[[1-(2-fluorophenyl)pyrazol-4-yl]carbamoylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[[1-(2-fluorophenyl)pyrazol-4-yl]carbamoylamino]-N-propan-2-ylpropanamide
PubChem CID71856029
Molecular FormulaC16H20FN5O2
Molecular Weight333.37 g/mol
Exact Mass333.16
IUPAC Name3-[[1-(2-fluorophenyl)pyrazol-4-yl]carbamoylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNC(=O)Nc1cnn(-c2ccccc2F)c1
InChIInChI=1S/C16H20FN5O2/c1-11(2)20-15(23)7-8-18-16(24)21-12-9-19-22(10-12)14-6-4-3-5-13(14)17/h3-6,9-11H,7-8H2,1-2H3,(H,20,23)(H2,18,21,24)
InChIKeyCCKDXEBIQAPMGD-UHFFFAOYSA-N
XLogP2.05
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Fluorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea
CID 2807997
Acetamide, N-(1-phenylpyrazol-4-yl)-
CID 200720
(6S,7R)-6,7-dimethyl-3-(2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484189
N-(3,4-difluorophenyl)-1-(1H-pyrazol-1-ylacetyl)-3-piperidinamine
CID 24790849
N-{[1-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-(1-isobutyl-3-oxopiperazin-2-yl)acetamide
CID 16187402
US10590075, Example 13
CID 129301849
N-(3,4-difluorophenyl)-1-[(3-methyl-1H-pyrazol-1-yl)acetyl]-3-piperidinamine
CID 24793309
1-(1,3-Dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea
CID 2811435
N-(3,4-difluorophenyl)-1-[3-(5-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinamine
CID 24819244
2,2-dimethyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]propanamide
CID 51105932
N-[1-(1-beta-alanylpiperidin-4-yl)-1H-pyrazol-5-yl]-N'-(3-fluorophenyl)urea
CID 56757256
(6S)-6-methyl-3-(2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484162

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-fluorophenyl)pyrazol-4-yl]carbamoylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[[1-(2-fluorophenyl)pyrazol-4-yl]carbamoylamino]-N-propan-2-ylpropanamide (CID 71856029) is 3-[[1-(2-fluorophenyl)pyrazol-4-yl]carbamoylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[[1-(2-fluorophenyl)pyrazol-4-yl]carbamoylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[[1-(2-fluorophenyl)pyrazol-4-yl]carbamoylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNC(=O)Nc1cnn(-c2ccccc2F)c1.
What is the InChIKey of 3-[[1-(2-fluorophenyl)pyrazol-4-yl]carbamoylamino]-N-propan-2-ylpropanamide?
The InChIKey is CCKDXEBIQAPMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O2/c1-11(2)20-15(23)7-8-18-16(24)21-12-9-19-22(10-12)14-6-4-3-5-13(14)17/h3-6,9-11H,7-8H2,1-2H3,(H,20,23)(H2,18,21,24).
What are the key properties of 3-[[1-(2-fluorophenyl)pyrazol-4-yl]carbamoylamino]-N-propan-2-ylpropanamide?
3-[[1-(2-fluorophenyl)pyrazol-4-yl]carbamoylamino]-N-propan-2-ylpropanamide has a molecular weight of 333.37 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-fluorophenyl)pyrazol-4-yl]carbamoylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 71856029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).