3-(4-cyanophenyl)-1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]urea

C16H19N5O — CID 72934701

IUPAC3-(4-cyanophenyl)-1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]urea
SMILESCCCc1cc(CN(C)C(=O)Nc2ccc(C#N)cc2)[nH]n1
InChIInChI=1S/C16H19N5O/c1-3-4-14-9-15(20-19-14)11-21(2)16(22)18-13-7-5-12(10-17)6-8-13/h5-9H,3-4,11H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyLLZCJTJJSQFMMQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.90
Rot. Bonds5

About 3-(4-cyanophenyl)-1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]urea

3-(4-cyanophenyl)-1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]urea (PubChem CID 72934701) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]urea.

Molecular Properties

Compound Name3-(4-cyanophenyl)-1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]urea
PubChem CID72934701
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name3-(4-cyanophenyl)-1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]urea
SMILESCCCc1cc(CN(C)C(=O)Nc2ccc(C#N)cc2)[nH]n1
InChIInChI=1S/C16H19N5O/c1-3-4-14-9-15(20-19-14)11-21(2)16(22)18-13-7-5-12(10-17)6-8-13/h5-9H,3-4,11H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyLLZCJTJJSQFMMQ-UHFFFAOYSA-N
XLogP2.90
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[4-(oxan-2-ylmethoxy)phenyl]-1-[(3-propyl-1H-pyrazol-5-yl)methyl]urea
CID 72891734
4-amino-N-(4-cyanophenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62075916
1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]-3-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
CID 126432539
1-(3-amino-2,2-dimethylpropyl)-3-(4-cyanophenyl)-1-methylurea
CID 79652704
3-(4-cyanophenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea
CID 23994401
3-[4-(cyanomethyl)phenyl]-1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-1-methylurea
CID 75400115
N-(4-cyanophenyl)pentanamide
CID 2162994
3-[4-(4-cyanophenoxy)phenyl]-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea
CID 60591675
N-methyl-3-[3-(methylamino)pyrazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide
CID 122572204
3-(4-cyanophenyl)-1-[(4-hydroxyoxan-4-yl)methyl]-1-methylurea
CID 114951741
1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea
CID 115621073
1-[(4-cyanophenyl)methyl]-3-(2,6-diethylphenyl)-1-methylurea
CID 86987271

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]urea?
The IUPAC name of 3-(4-cyanophenyl)-1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]urea (CID 72934701) is 3-(4-cyanophenyl)-1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]urea.
What is the SMILES notation for 3-(4-cyanophenyl)-1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]urea?
The canonical SMILES for 3-(4-cyanophenyl)-1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]urea is CCCc1cc(CN(C)C(=O)Nc2ccc(C#N)cc2)[nH]n1.
What is the InChIKey of 3-(4-cyanophenyl)-1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]urea?
The InChIKey is LLZCJTJJSQFMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-3-4-14-9-15(20-19-14)11-21(2)16(22)18-13-7-5-12(10-17)6-8-13/h5-9H,3-4,11H2,1-2H3,(H,18,22)(H,19,20).
What are the key properties of 3-(4-cyanophenyl)-1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]urea?
3-(4-cyanophenyl)-1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]urea has a molecular weight of 297.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]urea is sourced from PubChem (CID 72934701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).