1-(cyclobutylmethyl)-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea

C15H24N4O2 — CID 96567749

IUPAC1-(cyclobutylmethyl)-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
SMILESCN(CC1CCC1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1
InChIInChI=1S/C15H24N4O2/c1-18(9-12-4-2-5-12)15(20)17-13-8-16-19(10-13)11-14-6-3-7-21-14/h8,10,12,14H,2-7,9,11H2,1H3,(H,17,20)/t14-/m0/s1
InChIKeyNEOXJCMABBJZIB-AWEZNQCLSA-N
MW292.38 g/mol
LogP2.33
Rot. Bonds5

About 1-(cyclobutylmethyl)-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea

1-(cyclobutylmethyl)-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea (PubChem CID 96567749) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
PubChem CID96567749
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-(cyclobutylmethyl)-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
SMILESCN(CC1CCC1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1
InChIInChI=1S/C15H24N4O2/c1-18(9-12-4-2-5-12)15(20)17-13-8-16-19(10-13)11-14-6-3-7-21-14/h8,10,12,14H,2-7,9,11H2,1H3,(H,17,20)/t14-/m0/s1
InChIKeyNEOXJCMABBJZIB-AWEZNQCLSA-N
XLogP2.33
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 75393767
2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 62856426
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 95899324
1-[(4-methoxyphenyl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 136527849
2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355562
1-methyl-1-[(1R)-1-(4-methylphenyl)ethyl]-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 95899503
2-(cyclopropylmethylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 60867277
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 129365474
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide
CID 121145145
3-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexane-1-carboxamide
CID 63044481
1-[(1R)-1-(2-fluorophenyl)ethyl]-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96567744

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea?
The IUPAC name of 1-(cyclobutylmethyl)-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea (CID 96567749) is 1-(cyclobutylmethyl)-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea.
What is the SMILES notation for 1-(cyclobutylmethyl)-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea?
The canonical SMILES for 1-(cyclobutylmethyl)-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea is CN(CC1CCC1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1.
What is the InChIKey of 1-(cyclobutylmethyl)-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea?
The InChIKey is NEOXJCMABBJZIB-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-18(9-12-4-2-5-12)15(20)17-13-8-16-19(10-13)11-14-6-3-7-21-14/h8,10,12,14H,2-7,9,11H2,1H3,(H,17,20)/t14-/m0/s1.
What are the key properties of 1-(cyclobutylmethyl)-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea?
1-(cyclobutylmethyl)-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea has a molecular weight of 292.38 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea is sourced from PubChem (CID 96567749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).