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

C17H18N6O — CID 166322333

IUPAC1-(4-cyclopropyl-1H-pyrazol-5-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea
SMILESO=C(Nc1ccc(Cn2ccnc2)cc1)Nc1[nH]ncc1C1CC1
InChIInChI=1S/C17H18N6O/c24-17(21-16-15(9-19-22-16)13-3-4-13)20-14-5-1-12(2-6-14)10-23-8-7-18-11-23/h1-2,5-9,11,13H,3-4,10H2,(H3,19,20,21,22,24)
InChIKeyVUTUFBVYRMBWQT-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.18
Rot. Bonds5

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

1-(4-cyclopropyl-1H-pyrazol-5-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea (PubChem CID 166322333) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-(4-cyclopropyl-1H-pyrazol-5-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-cyclopropyl-1H-pyrazol-5-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea
PubChem CID166322333
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name1-(4-cyclopropyl-1H-pyrazol-5-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea
SMILESO=C(Nc1ccc(Cn2ccnc2)cc1)Nc1[nH]ncc1C1CC1
InChIInChI=1S/C17H18N6O/c24-17(21-16-15(9-19-22-16)13-3-4-13)20-14-5-1-12(2-6-14)10-23-8-7-18-11-23/h1-2,5-9,11,13H,3-4,10H2,(H3,19,20,21,22,24)
InChIKeyVUTUFBVYRMBWQT-UHFFFAOYSA-N
XLogP3.18
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(imidazol-1-ylmethyl)phenyl]-3-(4-methoxy-1H-pyrazol-5-yl)urea
CID 155962944
1-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea
CID 167959564
4-(cyclohexylcarbamoylamino)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
CID 86933267
N-cyclopentyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918576
1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[4-(hydroxymethyl)phenyl]urea
CID 166262560
1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]imidazole
CID 28740129
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[4-(imidazol-1-ylmethyl)phenyl]urea
CID 86933242
1-[4-(imidazol-1-ylmethyl)phenyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 86933282
N'-[4-(imidazol-1-ylmethyl)phenyl]-N-[4-(2-piperidin-1-ylethyl)phenyl]oxamide
CID 155950924
1-[(2,4-dimethylbenzoyl)amino]-3-[4-(imidazol-1-ylmethyl)phenyl]urea
CID 166211543
4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 55719023
(Z)-N-[4-(imidazol-1-ylmethyl)phenyl]-3-phenylprop-2-enamide
CID 69488579

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-1H-pyrazol-5-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea?
The IUPAC name of 1-(4-cyclopropyl-1H-pyrazol-5-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea (CID 166322333) is 1-(4-cyclopropyl-1H-pyrazol-5-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-(4-cyclopropyl-1H-pyrazol-5-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea?
The canonical SMILES for 1-(4-cyclopropyl-1H-pyrazol-5-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea is O=C(Nc1ccc(Cn2ccnc2)cc1)Nc1[nH]ncc1C1CC1.
What is the InChIKey of 1-(4-cyclopropyl-1H-pyrazol-5-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea?
The InChIKey is VUTUFBVYRMBWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c24-17(21-16-15(9-19-22-16)13-3-4-13)20-14-5-1-12(2-6-14)10-23-8-7-18-11-23/h1-2,5-9,11,13H,3-4,10H2,(H3,19,20,21,22,24).
What are the key properties of 1-(4-cyclopropyl-1H-pyrazol-5-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea?
1-(4-cyclopropyl-1H-pyrazol-5-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea has a molecular weight of 322.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-1H-pyrazol-5-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea is sourced from PubChem (CID 166322333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).