1-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea

C15H22N6O — CID 164636152

IUPAC1-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
SMILESCc1c(CNC(=O)Nc2cnn([C@@H](C)C3CC3)c2)cnn1C
InChIInChI=1S/C15H22N6O/c1-10-13(7-17-20(10)3)6-16-15(22)19-14-8-18-21(9-14)11(2)12-4-5-12/h7-9,11-12H,4-6H2,1-3H3,(H2,16,19,22)/t11-/m0/s1
InChIKeySSHZDXXNNWJAEG-NSHDSACASA-N
MW302.38 g/mol
LogP2.22
Rot. Bonds5

About 1-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea

1-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea (PubChem CID 164636152) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
PubChem CID164636152
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name1-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
SMILESCc1c(CNC(=O)Nc2cnn([C@@H](C)C3CC3)c2)cnn1C
InChIInChI=1S/C15H22N6O/c1-10-13(7-17-20(10)3)6-16-15(22)19-14-8-18-21(9-14)11(2)12-4-5-12/h7-9,11-12H,4-6H2,1-3H3,(H2,16,19,22)/t11-/m0/s1
InChIKeySSHZDXXNNWJAEG-NSHDSACASA-N
XLogP2.22
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1-Methylpyrazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 51084492
N'-(1,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]urea
CID 72864285
1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)urea
CID 97433597
N-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-N'-[(1-methyl-1H-pyrazol-4-yl)methyl]urea
CID 118762532
1-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-3-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]urea
CID 128219634
(3S)-N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-3-ethylpyrrolidine-1-carboxamide
CID 164625657
3-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-1-ethyl-1-(2-methylprop-2-enyl)urea
CID 164631155
1-[1-(1,5-Dimethylpyrazol-4-yl)ethyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]urea
CID 56793020
1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]urea
CID 95630708
1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]urea
CID 95630709
N-(1,3-dimethylpyrazol-4-yl)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 119045009
1-Cyclopentyl-3-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]urea
CID 121589258

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea (CID 164636152) is 1-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea is Cc1c(CNC(=O)Nc2cnn([C@@H](C)C3CC3)c2)cnn1C.
What is the InChIKey of 1-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea?
The InChIKey is SSHZDXXNNWJAEG-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N6O/c1-10-13(7-17-20(10)3)6-16-15(22)19-14-8-18-21(9-14)11(2)12-4-5-12/h7-9,11-12H,4-6H2,1-3H3,(H2,16,19,22)/t11-/m0/s1.
What are the key properties of 1-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea?
1-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea has a molecular weight of 302.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 164636152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).