1-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]urea

C17H31N5O2 — CID 97096667

IUPAC1-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]urea
SMILESCCC1(CC)[C@@H](OC)C[C@H]1NC(=O)Nc1cnn(CCN(C)C)c1
InChIInChI=1S/C17H31N5O2/c1-6-17(7-2)14(10-15(17)24-5)20-16(23)19-13-11-18-22(12-13)9-8-21(3)4/h11-12,14-15H,6-10H2,1-5H3,(H2,19,20,23)/t14-,15+/m1/s1
InChIKeyPNSXBPLPZUDURY-CABCVRRESA-N
MW337.47 g/mol
LogP2.16
Rot. Bonds8

About 1-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]urea

1-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]urea (PubChem CID 97096667) has the molecular formula C17H31N5O2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]urea
PubChem CID97096667
Molecular FormulaC17H31N5O2
Molecular Weight337.47 g/mol
Exact Mass337.25
IUPAC Name1-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]urea
SMILESCCC1(CC)[C@@H](OC)C[C@H]1NC(=O)Nc1cnn(CCN(C)C)c1
InChIInChI=1S/C17H31N5O2/c1-6-17(7-2)14(10-15(17)24-5)20-16(23)19-13-11-18-22(12-13)9-8-21(3)4/h11-12,14-15H,6-10H2,1-5H3,(H2,19,20,23)/t14-,15+/m1/s1
InChIKeyPNSXBPLPZUDURY-CABCVRRESA-N
XLogP2.16
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-3-[1-[2-(dimethylamino)ethyl]pyrazol-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

4-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
CID 49088558
1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(2-methylthiolan-2-yl)methyl]urea
CID 71853293
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 95744231
4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoylamino]butanoic acid
CID 122006951
1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200421
methyl 5-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
CID 49087127
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-difluorobenzamide
CID 49092977
1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 111578722
4-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-methoxy-1-methylpyrazole-3-carboxamide
CID 95744361
2,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
CID 49088727
5-(azepan-1-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-oxopentanamide
CID 95744328
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-hydroxy-2-phenylacetamide
CID 111432605

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]urea?
The IUPAC name of 1-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]urea (CID 97096667) is 1-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]urea.
What is the SMILES notation for 1-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]urea?
The canonical SMILES for 1-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]urea is CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)Nc1cnn(CCN(C)C)c1.
What is the InChIKey of 1-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]urea?
The InChIKey is PNSXBPLPZUDURY-CABCVRRESA-N. The full InChI is InChI=1S/C17H31N5O2/c1-6-17(7-2)14(10-15(17)24-5)20-16(23)19-13-11-18-22(12-13)9-8-21(3)4/h11-12,14-15H,6-10H2,1-5H3,(H2,19,20,23)/t14-,15+/m1/s1.
What are the key properties of 1-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]urea?
1-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]urea has a molecular weight of 337.47 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]urea is sourced from PubChem (CID 97096667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).