1-[5-amino-3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3-(cyclopropylmethyl)urea

C21H23N5O2 — CID 42685255

IUPAC1-[5-amino-3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3-(cyclopropylmethyl)urea
SMILESCOc1ccc(-c2nn(-c3ccccc3)c(N)c2NC(=O)NCC2CC2)cc1
InChIInChI=1S/C21H23N5O2/c1-28-17-11-9-15(10-12-17)18-19(24-21(27)23-13-14-7-8-14)20(22)26(25-18)16-5-3-2-4-6-16/h2-6,9-12,14H,7-8,13,22H2,1H3,(H2,23,24,27)
InChIKeyYXFMZVQMLWHEIH-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.66
Rot. Bonds6

About 1-[5-amino-3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3-(cyclopropylmethyl)urea

1-[5-amino-3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3-(cyclopropylmethyl)urea (PubChem CID 42685255) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-[5-amino-3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3-(cyclopropylmethyl)urea.

Molecular Properties

Compound Name1-[5-amino-3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3-(cyclopropylmethyl)urea
PubChem CID42685255
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name1-[5-amino-3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3-(cyclopropylmethyl)urea
SMILESCOc1ccc(-c2nn(-c3ccccc3)c(N)c2NC(=O)NCC2CC2)cc1
InChIInChI=1S/C21H23N5O2/c1-28-17-11-9-15(10-12-17)18-19(24-21(27)23-13-14-7-8-14)20(22)26(25-18)16-5-3-2-4-6-16/h2-6,9-12,14H,7-8,13,22H2,1H3,(H2,23,24,27)
InChIKeyYXFMZVQMLWHEIH-UHFFFAOYSA-N
XLogP3.66
TPSA94.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-amino-3-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(2-phenoxyethyl)urea
CID 42685232
1-[5-amino-1,3-bis(4-chlorophenyl)pyrazol-4-yl]-3-(2-phenoxyethyl)urea
CID 42685093
1-[5-amino-3-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-propan-2-ylurea
CID 42685210
1-[5-amino-1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-3-cyclopropylurea
CID 42684964
1-[5-amino-1-(2-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]-3-butan-2-ylurea
CID 42685199
1-(4-methoxyphenyl)-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]urea
CID 16919921
N-(5-amino-1,3-diphenylpyrazol-4-yl)-4-cyclopentylpiperazine-1-carboxamide
CID 42685055
3-[5-amino-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1-benzyl-1-methylurea
CID 42685189
1-[5-amino-1,3-bis(4-chlorophenyl)pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea
CID 42873178
[2-(cyclopropylamino)-2-oxoethyl] 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 41475897
4-methoxy-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide
CID 10600007
phenyl N-[5-amino-3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]carbamate
CID 42684862

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3-(cyclopropylmethyl)urea?
The IUPAC name of 1-[5-amino-3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3-(cyclopropylmethyl)urea (CID 42685255) is 1-[5-amino-3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3-(cyclopropylmethyl)urea.
What is the SMILES notation for 1-[5-amino-3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3-(cyclopropylmethyl)urea?
The canonical SMILES for 1-[5-amino-3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3-(cyclopropylmethyl)urea is COc1ccc(-c2nn(-c3ccccc3)c(N)c2NC(=O)NCC2CC2)cc1.
What is the InChIKey of 1-[5-amino-3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3-(cyclopropylmethyl)urea?
The InChIKey is YXFMZVQMLWHEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-28-17-11-9-15(10-12-17)18-19(24-21(27)23-13-14-7-8-14)20(22)26(25-18)16-5-3-2-4-6-16/h2-6,9-12,14H,7-8,13,22H2,1H3,(H2,23,24,27).
What are the key properties of 1-[5-amino-3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3-(cyclopropylmethyl)urea?
1-[5-amino-3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3-(cyclopropylmethyl)urea has a molecular weight of 377.45 g/mol, XLogP of 3.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3-(cyclopropylmethyl)urea is sourced from PubChem (CID 42685255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).