1-(2-phenylcyclopropyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea

C19H19N5O — CID 168955827

IUPAC1-(2-phenylcyclopropyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
SMILESO=C(NCc1ccnc(-n2cccn2)c1)NC1CC1c1ccccc1
InChIInChI=1S/C19H19N5O/c25-19(23-17-12-16(17)15-5-2-1-3-6-15)21-13-14-7-9-20-18(11-14)24-10-4-8-22-24/h1-11,16-17H,12-13H2,(H2,21,23,25)
InChIKeyGFSXYZWZPCGLSD-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.62
Rot. Bonds5

About 1-(2-phenylcyclopropyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea

1-(2-phenylcyclopropyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea (PubChem CID 168955827) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 1-(2-phenylcyclopropyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(2-phenylcyclopropyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
PubChem CID168955827
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name1-(2-phenylcyclopropyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
SMILESO=C(NCc1ccnc(-n2cccn2)c1)NC1CC1c1ccccc1
InChIInChI=1S/C19H19N5O/c25-19(23-17-12-16(17)15-5-2-1-3-6-15)21-13-14-7-9-20-18(11-14)24-10-4-8-22-24/h1-11,16-17H,12-13H2,(H2,21,23,25)
InChIKeyGFSXYZWZPCGLSD-UHFFFAOYSA-N
XLogP2.62
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 168892581
1-[(2-phenoxy-4-pyridinyl)methyl]-3-[(1R,2S)-2-phenylcyclopropyl]urea
CID 168955772
1-[(1R,2S)-2-phenylcyclopropyl]-3-[[2-[4-(trifluoromethyl)imidazol-1-yl]-4-pyridinyl]methyl]urea
CID 168955841
1-[(2-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 35651512
(3S,5S)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 94030798
1-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 124595043
1-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]urea
CID 168892575
1-(2-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 38886018
1-[2-(N-methylanilino)propyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 86995949
(2S)-2-(dimethylamino)-2-phenyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
CID 95165130
(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120632675
1-(2,3-difluorophenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 86856255

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylcyclopropyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea?
The IUPAC name of 1-(2-phenylcyclopropyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea (CID 168955827) is 1-(2-phenylcyclopropyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(2-phenylcyclopropyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-(2-phenylcyclopropyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea is O=C(NCc1ccnc(-n2cccn2)c1)NC1CC1c1ccccc1.
What is the InChIKey of 1-(2-phenylcyclopropyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea?
The InChIKey is GFSXYZWZPCGLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c25-19(23-17-12-16(17)15-5-2-1-3-6-15)21-13-14-7-9-20-18(11-14)24-10-4-8-22-24/h1-11,16-17H,12-13H2,(H2,21,23,25).
What are the key properties of 1-(2-phenylcyclopropyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea?
1-(2-phenylcyclopropyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea has a molecular weight of 333.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylcyclopropyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea is sourced from PubChem (CID 168955827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).