3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea

C18H29N5O — CID 126433094

IUPAC3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(N(C)C(=O)Nc2ccnn2C[C@@H]2CC=CCC2)CC1
InChIInChI=1S/C18H29N5O/c1-21-12-9-16(10-13-21)22(2)18(24)20-17-8-11-19-23(17)14-15-6-4-3-5-7-15/h3-4,8,11,15-16H,5-7,9-10,12-14H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyXZBCRRHPXAVTJD-OAHLLOKOSA-N
MW331.46 g/mol
LogP2.80
Rot. Bonds4

About 3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea

3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea (PubChem CID 126433094) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
PubChem CID126433094
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(N(C)C(=O)Nc2ccnn2C[C@@H]2CC=CCC2)CC1
InChIInChI=1S/C18H29N5O/c1-21-12-9-16(10-13-21)22(2)18(24)20-17-8-11-19-23(17)14-15-6-4-3-5-7-15/h3-4,8,11,15-16H,5-7,9-10,12-14H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyXZBCRRHPXAVTJD-OAHLLOKOSA-N
XLogP2.80
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)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-Butyl-3-(2-cyclohexylpyrazol-3-yl)urea
CID 2103165
N-{1-[1-(2,6-dimethyl-5-hepten-1-yl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopentanecarboxamide
CID 24818932
N-(3-methylbutyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide
CID 53146890
N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-N'-(1-methyl-1H-pyrazol-5-yl)urea
CID 74232495
3-[1-(3-Cyanopropyl)pyrazol-3-yl]-1-(1,3-dimethylpiperidin-4-yl)-1-methylurea
CID 75427332
(2R)-2-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide
CID 97258233
1-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(2-ethoxyethyl)urea
CID 97436203
4-methyl-N-[2-[(2S)-3-methylbutan-2-yl]pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 125168659
4,4-diethyl-N-(1-propan-2-ylpyrazol-3-yl)azepane-1-carboxamide
CID 132384393
4,4-difluoro-N-[1-(3-methylbutyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
CID 72901011
N-[1-(3-methylbutyl)pyrazol-3-yl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 127669671
1-[(3,3-Difluoropiperidin-4-yl)methyl]-3-(2-ethylpyrazol-3-yl)urea
CID 137998067

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea (CID 126433094) is 3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea is CN1CCC(N(C)C(=O)Nc2ccnn2C[C@@H]2CC=CCC2)CC1.
What is the InChIKey of 3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The InChIKey is XZBCRRHPXAVTJD-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H29N5O/c1-21-12-9-16(10-13-21)22(2)18(24)20-17-8-11-19-23(17)14-15-6-4-3-5-7-15/h3-4,8,11,15-16H,5-7,9-10,12-14H2,1-2H3,(H,20,24)/t15-/m1/s1.
What are the key properties of 3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea?
3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea has a molecular weight of 331.46 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 126433094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).