1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea

C19H26N4O2 — CID 111505115

IUPAC1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
SMILESCC1(CO)CCCC1NC(=O)NCc1cccc(Cn2cccn2)c1
InChIInChI=1S/C19H26N4O2/c1-19(14-24)8-3-7-17(19)22-18(25)20-12-15-5-2-6-16(11-15)13-23-10-4-9-21-23/h2,4-6,9-11,17,24H,3,7-8,12-14H2,1H3,(H2,20,22,25)
InChIKeyILVWXYHJJUOGJU-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.28
Rot. Bonds6

About 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea

1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea (PubChem CID 111505115) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
PubChem CID111505115
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
SMILESCC1(CO)CCCC1NC(=O)NCc1cccc(Cn2cccn2)c1
InChIInChI=1S/C19H26N4O2/c1-19(14-24)8-3-7-17(19)22-18(25)20-12-15-5-2-6-16(11-15)13-23-10-4-9-21-23/h2,4-6,9-11,17,24H,3,7-8,12-14H2,1H3,(H2,20,22,25)
InChIKeyILVWXYHJJUOGJU-UHFFFAOYSA-N
XLogP2.28
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119744676
1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119301019
1-[(4-cyanophenyl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111504585
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 111504256
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 111506190
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55953112
1-(4-chlorophenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 47062469
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(2-phenylcyclopropyl)methyl]urea
CID 111506232
1-[(2,4-dichlorophenyl)methyl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 52711976
N-(2,2-dimethylcyclopentyl)-4-(pyrazol-1-ylmethyl)aniline
CID 79859948
1-benzyl-2-methyl-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 110955028
1-(3-piperidin-1-ylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 86837888

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea (CID 111505115) is 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea is CC1(CO)CCCC1NC(=O)NCc1cccc(Cn2cccn2)c1.
What is the InChIKey of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The InChIKey is ILVWXYHJJUOGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-19(14-24)8-3-7-17(19)22-18(25)20-12-15-5-2-6-16(11-15)13-23-10-4-9-21-23/h2,4-6,9-11,17,24H,3,7-8,12-14H2,1H3,(H2,20,22,25).
What are the key properties of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea has a molecular weight of 342.44 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 111505115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).