1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-fluorophenyl)urea

C21H22FN5O — CID 90555522

IUPAC1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-fluorophenyl)urea
SMILESO=C(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)Nc1ccccc1F
InChIInChI=1S/C21H22FN5O/c22-18-7-3-4-8-19(18)25-21(28)24-14-16-13-20(15-9-11-23-12-10-15)27(26-16)17-5-1-2-6-17/h3-4,7-13,17H,1-2,5-6,14H2,(H2,24,25,28)
InChIKeyBQPKNYOXIIOHGK-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.52
Rot. Bonds5

About 1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-fluorophenyl)urea

1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-fluorophenyl)urea (PubChem CID 90555522) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is 1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-fluorophenyl)urea
PubChem CID90555522
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-fluorophenyl)urea
SMILESO=C(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)Nc1ccccc1F
InChIInChI=1S/C21H22FN5O/c22-18-7-3-4-8-19(18)25-21(28)24-14-16-13-20(15-9-11-23-12-10-15)27(26-16)17-5-1-2-6-17/h3-4,7-13,17H,1-2,5-6,14H2,(H2,24,25,28)
InChIKeyBQPKNYOXIIOHGK-UHFFFAOYSA-N
XLogP4.52
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(3,4-dichlorophenyl)urea
CID 90555550
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide
CID 71797569
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanecarboxamide
CID 90555260
1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-phenoxyethyl)urea
CID 90555537
2-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzamide
CID 90555288
(2R)-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenylbutanamide
CID 97104829
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 90555343
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 90555311
(E)-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 71797562
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 90555336
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 90555393
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-methoxybenzamide
CID 90555283

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-fluorophenyl)urea (CID 90555522) is 1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-fluorophenyl)urea is O=C(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)Nc1ccccc1F.
What is the InChIKey of 1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-fluorophenyl)urea?
The InChIKey is BQPKNYOXIIOHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c22-18-7-3-4-8-19(18)25-21(28)24-14-16-13-20(15-9-11-23-12-10-15)27(26-16)17-5-1-2-6-17/h3-4,7-13,17H,1-2,5-6,14H2,(H2,24,25,28).
What are the key properties of 1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-fluorophenyl)urea?
1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-fluorophenyl)urea has a molecular weight of 379.44 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 90555522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).