1-[3-(aminomethyl)cyclopentyl]-3-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]urea

C17H22FN5O — CID 166237459

IUPAC1-[3-(aminomethyl)cyclopentyl]-3-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]urea
SMILESCc1cc(NC(=O)NC2CCC(CN)C2)nn1-c1cccc(F)c1
InChIInChI=1S/C17H22FN5O/c1-11-7-16(22-23(11)15-4-2-3-13(18)9-15)21-17(24)20-14-6-5-12(8-14)10-19/h2-4,7,9,12,14H,5-6,8,10,19H2,1H3,(H2,20,21,22,24)
InChIKeyUKHQXNYYPDIBKQ-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.57
Rot. Bonds4

About 1-[3-(aminomethyl)cyclopentyl]-3-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]urea

1-[3-(aminomethyl)cyclopentyl]-3-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]urea (PubChem CID 166237459) has the molecular formula C17H22FN5O and a molecular weight of 331.40 g/mol. Its IUPAC name is 1-[3-(aminomethyl)cyclopentyl]-3-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[3-(aminomethyl)cyclopentyl]-3-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]urea
PubChem CID166237459
Molecular FormulaC17H22FN5O
Molecular Weight331.40 g/mol
Exact Mass331.18
IUPAC Name1-[3-(aminomethyl)cyclopentyl]-3-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]urea
SMILESCc1cc(NC(=O)NC2CCC(CN)C2)nn1-c1cccc(F)c1
InChIInChI=1S/C17H22FN5O/c1-11-7-16(22-23(11)15-4-2-3-13(18)9-15)21-17(24)20-14-6-5-12(8-14)10-19/h2-4,7,9,12,14H,5-6,8,10,19H2,1H3,(H2,20,21,22,24)
InChIKeyUKHQXNYYPDIBKQ-UHFFFAOYSA-N
XLogP2.57
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminocyclobutyl)-3-(3-fluorophenyl)urea
CID 61029509
N-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 84596558
2-[[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]amino]-N-(methylcarbamoyl)propanamide
CID 91651156
1-[4-(ethylamino)cyclohexyl]-3-(3-fluorophenyl)urea
CID 61030345
2,4-difluoro-N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide
CID 46107138
1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-[2-(2,2-difluorocyclopropyl)ethyl]urea
CID 136554209
1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea
CID 75483645
1-[1-(2-aminoethyl)piperidin-4-yl]-3-(3-fluorophenyl)urea
CID 63631483
N-[2-(aminomethyl)cyclohexyl]-1-(3-fluorophenyl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 119610418
1-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3-(3-fluorophenyl)urea
CID 61150447
[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
CID 110000383
N-[3-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 43970217

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)cyclopentyl]-3-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]urea?
The IUPAC name of 1-[3-(aminomethyl)cyclopentyl]-3-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]urea (CID 166237459) is 1-[3-(aminomethyl)cyclopentyl]-3-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]urea.
What is the SMILES notation for 1-[3-(aminomethyl)cyclopentyl]-3-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]urea?
The canonical SMILES for 1-[3-(aminomethyl)cyclopentyl]-3-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]urea is Cc1cc(NC(=O)NC2CCC(CN)C2)nn1-c1cccc(F)c1.
What is the InChIKey of 1-[3-(aminomethyl)cyclopentyl]-3-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]urea?
The InChIKey is UKHQXNYYPDIBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O/c1-11-7-16(22-23(11)15-4-2-3-13(18)9-15)21-17(24)20-14-6-5-12(8-14)10-19/h2-4,7,9,12,14H,5-6,8,10,19H2,1H3,(H2,20,21,22,24).
What are the key properties of 1-[3-(aminomethyl)cyclopentyl]-3-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]urea?
1-[3-(aminomethyl)cyclopentyl]-3-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]urea has a molecular weight of 331.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)cyclopentyl]-3-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]urea is sourced from PubChem (CID 166237459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).