1-propan-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

C12H22N4O — CID 110747749

IUPAC1-propan-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCc1nn(C)c(C)c1CCNC(=O)NC(C)C
InChIInChI=1S/C12H22N4O/c1-8(2)14-12(17)13-7-6-11-9(3)15-16(5)10(11)4/h8H,6-7H2,1-5H3,(H2,13,14,17)
InChIKeyKSKCOFIWDNUSRT-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.29
Rot. Bonds4

About 1-propan-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

1-propan-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (PubChem CID 110747749) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-propan-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-propan-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
PubChem CID110747749
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-propan-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCc1nn(C)c(C)c1CCNC(=O)NC(C)C
InChIInChI=1S/C12H22N4O/c1-8(2)14-12(17)13-7-6-11-9(3)15-16(5)10(11)4/h8H,6-7H2,1-5H3,(H2,13,14,17)
InChIKeyKSKCOFIWDNUSRT-UHFFFAOYSA-N
XLogP1.29
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-propan-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]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-(3-hydroxybutyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 111337217
1-(3-hydroxy-4-methylpentyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 111504916
2-methyl-3-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 119731668
1-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 97065175
1-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 97065174
1-[1-(3-bromophenyl)ethyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 86931519
1-[(R)-cyclobutyl(phenyl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 95318618
2,2,2-trifluoro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 110443234
1-[cyclopentyl(thiophen-2-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 71894685
3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 110460217
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 75405494
N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pentanamide
CID 86930102

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-propan-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (CID 110747749) is 1-propan-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-propan-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-propan-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is Cc1nn(C)c(C)c1CCNC(=O)NC(C)C.
What is the InChIKey of 1-propan-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The InChIKey is KSKCOFIWDNUSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(2)14-12(17)13-7-6-11-9(3)15-16(5)10(11)4/h8H,6-7H2,1-5H3,(H2,13,14,17).
What are the key properties of 1-propan-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
1-propan-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea has a molecular weight of 238.33 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 110747749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).