3-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea

C20H24N6O — CID 122568205

IUPAC3-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea
SMILESCN(Cc1ccc(-n2cccn2)cc1)C(=O)NC(c1nccn1C)C1CC1
InChIInChI=1S/C20H24N6O/c1-24-13-11-21-19(24)18(16-6-7-16)23-20(27)25(2)14-15-4-8-17(9-5-15)26-12-3-10-22-26/h3-5,8-13,16,18H,6-7,14H2,1-2H3,(H,23,27)
InChIKeyONGMRQNGWRAHNS-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.90
Rot. Bonds6

About 3-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea

3-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea (PubChem CID 122568205) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name3-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea
PubChem CID122568205
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name3-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea
SMILESCN(Cc1ccc(-n2cccn2)cc1)C(=O)NC(c1nccn1C)C1CC1
InChIInChI=1S/C20H24N6O/c1-24-13-11-21-19(24)18(16-6-7-16)23-20(27)25(2)14-15-4-8-17(9-5-15)26-12-3-10-22-26/h3-5,8-13,16,18H,6-7,14H2,1-2H3,(H,23,27)
InChIKeyONGMRQNGWRAHNS-UHFFFAOYSA-N
XLogP2.90
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea
CID 125440679
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide
CID 122565816
N-cyclopropyl-4-[[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide
CID 46485261
3-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 131907822
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 125444734
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-oxo-4-phenylbutanamide
CID 125176121
3-(1,3-benzodioxol-5-yl)-N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]propanamide
CID 91781119
2-(cyclopropylmethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 70786327
N-methyl-3-pyrazol-1-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide
CID 70746658
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-pyrazol-1-ylbenzamide
CID 51926493
1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-oxopyridine-3-carboxamide
CID 92635227
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 70736931

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea?
The IUPAC name of 3-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea (CID 122568205) is 3-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea.
What is the SMILES notation for 3-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea?
The canonical SMILES for 3-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea is CN(Cc1ccc(-n2cccn2)cc1)C(=O)NC(c1nccn1C)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea?
The InChIKey is ONGMRQNGWRAHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-24-13-11-21-19(24)18(16-6-7-16)23-20(27)25(2)14-15-4-8-17(9-5-15)26-12-3-10-22-26/h3-5,8-13,16,18H,6-7,14H2,1-2H3,(H,23,27).
What are the key properties of 3-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea?
3-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea has a molecular weight of 364.45 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea is sourced from PubChem (CID 122568205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).