1-cyclopropyl-1-(2,2-difluoroethyl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea

C16H19F2N5O — CID 71971474

IUPAC1-cyclopropyl-1-(2,2-difluoroethyl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
SMILESCc1cc(NC(=O)N(CC(F)F)C2CC2)n(Cc2ccccn2)n1
InChIInChI=1S/C16H19F2N5O/c1-11-8-15(23(21-11)9-12-4-2-3-7-19-12)20-16(24)22(10-14(17)18)13-5-6-13/h2-4,7-8,13-14H,5-6,9-10H2,1H3,(H,20,24)
InChIKeyVYAVIGHNRKIRQX-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.90
Rot. Bonds6

About 1-cyclopropyl-1-(2,2-difluoroethyl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea

1-cyclopropyl-1-(2,2-difluoroethyl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea (PubChem CID 71971474) has the molecular formula C16H19F2N5O and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2,2-difluoroethyl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(2,2-difluoroethyl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
PubChem CID71971474
Molecular FormulaC16H19F2N5O
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC Name1-cyclopropyl-1-(2,2-difluoroethyl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
SMILESCc1cc(NC(=O)N(CC(F)F)C2CC2)n(Cc2ccccn2)n1
InChIInChI=1S/C16H19F2N5O/c1-11-8-15(23(21-11)9-12-4-2-3-7-19-12)20-16(24)22(10-14(17)18)13-5-6-13/h2-4,7-8,13-14H,5-6,9-10H2,1H3,(H,20,24)
InChIKeyVYAVIGHNRKIRQX-UHFFFAOYSA-N
XLogP2.90
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 111859411
4-(hydroxymethyl)-N-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide
CID 111859405
1-(1-hydroxy-4-methylpentan-2-yl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 111859399
5-methyl-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid
CID 83534624
2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 12988154
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 33034904
1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(pyridin-2-ylmethyl)urea
CID 111793378
1-cyclopropyl-1-(2,2-difluoroethyl)-3-[3-(difluoromethoxy)-2-methylphenyl]urea
CID 71858397
1-cyclopropyl-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1-(2-hydroxyethyl)urea
CID 111110138
1-cyclopropyl-1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylurea
CID 86816886
2-[[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]methyl]pyridine
CID 59281597
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 55551514

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2,2-difluoroethyl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-cyclopropyl-1-(2,2-difluoroethyl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea (CID 71971474) is 1-cyclopropyl-1-(2,2-difluoroethyl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-cyclopropyl-1-(2,2-difluoroethyl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-cyclopropyl-1-(2,2-difluoroethyl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea is Cc1cc(NC(=O)N(CC(F)F)C2CC2)n(Cc2ccccn2)n1.
What is the InChIKey of 1-cyclopropyl-1-(2,2-difluoroethyl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
The InChIKey is VYAVIGHNRKIRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5O/c1-11-8-15(23(21-11)9-12-4-2-3-7-19-12)20-16(24)22(10-14(17)18)13-5-6-13/h2-4,7-8,13-14H,5-6,9-10H2,1H3,(H,20,24).
What are the key properties of 1-cyclopropyl-1-(2,2-difluoroethyl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
1-cyclopropyl-1-(2,2-difluoroethyl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea has a molecular weight of 335.36 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2,2-difluoroethyl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 71971474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).