1-(1-benzylcyclopentyl)-3-[(2-methylpyrazol-3-yl)methyl]urea

C18H24N4O — CID 75521844

IUPAC1-(1-benzylcyclopentyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
SMILESCn1nccc1CNC(=O)NC1(Cc2ccccc2)CCCC1
InChIInChI=1S/C18H24N4O/c1-22-16(9-12-20-22)14-19-17(23)21-18(10-5-6-11-18)13-15-7-3-2-4-8-15/h2-4,7-9,12H,5-6,10-11,13-14H2,1H3,(H2,19,21,23)
InChIKeyVHWMXPCEKPPHLN-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.77
Rot. Bonds5

About 1-(1-benzylcyclopentyl)-3-[(2-methylpyrazol-3-yl)methyl]urea

1-(1-benzylcyclopentyl)-3-[(2-methylpyrazol-3-yl)methyl]urea (PubChem CID 75521844) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-(1-benzylcyclopentyl)-3-[(2-methylpyrazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(1-benzylcyclopentyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
PubChem CID75521844
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-(1-benzylcyclopentyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
SMILESCn1nccc1CNC(=O)NC1(Cc2ccccc2)CCCC1
InChIInChI=1S/C18H24N4O/c1-22-16(9-12-20-22)14-19-17(23)21-18(10-5-6-11-18)13-15-7-3-2-4-8-15/h2-4,7-9,12H,5-6,10-11,13-14H2,1H3,(H2,19,21,23)
InChIKeyVHWMXPCEKPPHLN-UHFFFAOYSA-N
XLogP2.77
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-hydroxycyclohexyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 110936584
2-(1-hydroxycyclopentyl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 111464411
4-methyl-1-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63303718
1-amino-N-[(2-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 63302989
tert-butyl N-[1-[[(2-methylpyrazol-3-yl)methylcarbamoylamino]methyl]cycloheptyl]carbamate
CID 87007419
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 91661830
2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
CID 63303675
1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 131154196
1-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 111110415
3-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
CID 63303802
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
2-amino-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride
CID 119291636

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylcyclopentyl)-3-[(2-methylpyrazol-3-yl)methyl]urea?
The IUPAC name of 1-(1-benzylcyclopentyl)-3-[(2-methylpyrazol-3-yl)methyl]urea (CID 75521844) is 1-(1-benzylcyclopentyl)-3-[(2-methylpyrazol-3-yl)methyl]urea.
What is the SMILES notation for 1-(1-benzylcyclopentyl)-3-[(2-methylpyrazol-3-yl)methyl]urea?
The canonical SMILES for 1-(1-benzylcyclopentyl)-3-[(2-methylpyrazol-3-yl)methyl]urea is Cn1nccc1CNC(=O)NC1(Cc2ccccc2)CCCC1.
What is the InChIKey of 1-(1-benzylcyclopentyl)-3-[(2-methylpyrazol-3-yl)methyl]urea?
The InChIKey is VHWMXPCEKPPHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-22-16(9-12-20-22)14-19-17(23)21-18(10-5-6-11-18)13-15-7-3-2-4-8-15/h2-4,7-9,12H,5-6,10-11,13-14H2,1H3,(H2,19,21,23).
What are the key properties of 1-(1-benzylcyclopentyl)-3-[(2-methylpyrazol-3-yl)methyl]urea?
1-(1-benzylcyclopentyl)-3-[(2-methylpyrazol-3-yl)methyl]urea has a molecular weight of 312.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylcyclopentyl)-3-[(2-methylpyrazol-3-yl)methyl]urea is sourced from PubChem (CID 75521844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).