1-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea

C18H20N6O — CID 167959564

IUPAC1-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea
SMILESCc1c(NC(=O)Nc2ccc(Cn3ccnc3)cc2)n[nH]c1C1CC1
InChIInChI=1S/C18H20N6O/c1-12-16(14-4-5-14)22-23-17(12)21-18(25)20-15-6-2-13(3-7-15)10-24-9-8-19-11-24/h2-3,6-9,11,14H,4-5,10H2,1H3,(H3,20,21,22,23,25)
InChIKeyJYIPVAWWZUAPGY-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.48
Rot. Bonds5

About 1-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea

1-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea (PubChem CID 167959564) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea
PubChem CID167959564
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name1-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea
SMILESCc1c(NC(=O)Nc2ccc(Cn3ccnc3)cc2)n[nH]c1C1CC1
InChIInChI=1S/C18H20N6O/c1-12-16(14-4-5-14)22-23-17(12)21-18(25)20-15-6-2-13(3-7-15)10-24-9-8-19-11-24/h2-3,6-9,11,14H,4-5,10H2,1H3,(H3,20,21,22,23,25)
InChIKeyJYIPVAWWZUAPGY-UHFFFAOYSA-N
XLogP3.48
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyclopropyl-1H-pyrazol-5-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea
CID 166322333
1-[4-(imidazol-1-ylmethyl)phenyl]-3-(4-methoxy-1H-pyrazol-5-yl)urea
CID 155962944
N-[4-(imidazol-1-ylmethyl)phenyl]-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide
CID 166262499
1-[4-(imidazol-1-ylmethyl)phenyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 86933282
1-[(2,4-dimethylbenzoyl)amino]-3-[4-(imidazol-1-ylmethyl)phenyl]urea
CID 166211543
4-(cyclohexylcarbamoylamino)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
CID 86933267
4-(imidazol-1-ylmethyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 86843520
4-(imidazol-1-ylmethyl)benzoate
CID 42555847
N-[2-[4-(imidazol-1-ylmethyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 155945580
4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 55719023
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
N-cyclopentyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918576

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea?
The IUPAC name of 1-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea (CID 167959564) is 1-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea?
The canonical SMILES for 1-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea is Cc1c(NC(=O)Nc2ccc(Cn3ccnc3)cc2)n[nH]c1C1CC1.
What is the InChIKey of 1-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea?
The InChIKey is JYIPVAWWZUAPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-12-16(14-4-5-14)22-23-17(12)21-18(25)20-15-6-2-13(3-7-15)10-24-9-8-19-11-24/h2-3,6-9,11,14H,4-5,10H2,1H3,(H3,20,21,22,23,25).
What are the key properties of 1-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea?
1-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea has a molecular weight of 336.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea is sourced from PubChem (CID 167959564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).