1-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrrolidin-3-ylurea

C16H21N5O2 — CID 156608046

IUPAC1-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrrolidin-3-ylurea
SMILESCOc1ccc(-n2nc(C)cc2NC(=O)NC2CCNC2)cc1
InChIInChI=1S/C16H21N5O2/c1-11-9-15(19-16(22)18-12-7-8-17-10-12)21(20-11)13-3-5-14(23-2)6-4-13/h3-6,9,12,17H,7-8,10H2,1-2H3,(H2,18,19,22)
InChIKeyBUVUTDYOMFBWRF-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.67
Rot. Bonds4

About 1-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrrolidin-3-ylurea

1-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrrolidin-3-ylurea (PubChem CID 156608046) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrrolidin-3-ylurea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrrolidin-3-ylurea
PubChem CID156608046
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name1-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrrolidin-3-ylurea
SMILESCOc1ccc(-n2nc(C)cc2NC(=O)NC2CCNC2)cc1
InChIInChI=1S/C16H21N5O2/c1-11-9-15(19-16(22)18-12-7-8-17-10-12)21(20-11)13-3-5-14(23-2)6-4-13/h3-6,9,12,17H,7-8,10H2,1-2H3,(H2,18,19,22)
InChIKeyBUVUTDYOMFBWRF-UHFFFAOYSA-N
XLogP1.67
TPSA80.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea
CID 61310941
N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrazolidin-3-ylpiperidine-1-carboxamide
CID 134086399
4,4-difluoro-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]piperidine-1-carboxamide
CID 72921605
(3S)-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 97268219
6-methoxy-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 156584796
[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 42001529
4-(3,5-dimethylpyrazol-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429001
3,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2359886
N-[2-[[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 75466540
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 7872728
1-(4-methoxyphenyl)-3-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]urea
CID 11153624

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrrolidin-3-ylurea?
The IUPAC name of 1-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrrolidin-3-ylurea (CID 156608046) is 1-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrrolidin-3-ylurea.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrrolidin-3-ylurea?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrrolidin-3-ylurea is COc1ccc(-n2nc(C)cc2NC(=O)NC2CCNC2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrrolidin-3-ylurea?
The InChIKey is BUVUTDYOMFBWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11-9-15(19-16(22)18-12-7-8-17-10-12)21(20-11)13-3-5-14(23-2)6-4-13/h3-6,9,12,17H,7-8,10H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrrolidin-3-ylurea?
1-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrrolidin-3-ylurea has a molecular weight of 315.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyrrolidin-3-ylurea is sourced from PubChem (CID 156608046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).