1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylindol-5-yl)urea

C21H21N5O — CID 139889780

IUPAC1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylindol-5-yl)urea
SMILESCc1cc(C)n(-c2cccc(NC(=O)Nc3ccc4c(ccn4C)c3)c2)n1
InChIInChI=1S/C21H21N5O/c1-14-11-15(2)26(24-14)19-6-4-5-17(13-19)22-21(27)23-18-7-8-20-16(12-18)9-10-25(20)3/h4-13H,1-3H3,(H2,22,23,27)
InChIKeyXYZYLECOJFDJPN-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.62
Rot. Bonds3

About 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylindol-5-yl)urea

1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylindol-5-yl)urea (PubChem CID 139889780) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylindol-5-yl)urea.

Molecular Properties

Compound Name1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylindol-5-yl)urea
PubChem CID139889780
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylindol-5-yl)urea
SMILESCc1cc(C)n(-c2cccc(NC(=O)Nc3ccc4c(ccn4C)c3)c2)n1
InChIInChI=1S/C21H21N5O/c1-14-11-15(2)26(24-14)19-6-4-5-17(13-19)22-21(27)23-18-7-8-20-16(12-18)9-10-25(20)3/h4-13H,1-3H3,(H2,22,23,27)
InChIKeyXYZYLECOJFDJPN-UHFFFAOYSA-N
XLogP4.62
TPSA63.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylindol-5-yl)-3-phenylurea;hydrochloride
CID 45259292
1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 78891330
(2R)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride
CID 119294780
(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride
CID 119294768
1-(1-methylindol-5-yl)-3-(2-methylquinolin-4-yl)urea;hydrochloride
CID 67733477
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 86990195
1-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(1-methylindol-5-yl)urea
CID 139889793
1-(3-carbamimidoylphenyl)-3-(1-methylindol-5-yl)urea;hydroiodide
CID 67768152
3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
CID 111790628
N-[3-[5-(1-methylindol-5-yl)-2-oxo-1-pyridinyl]phenyl]acetamide
CID 44544272
2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pentanamide
CID 119294783
(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylpentanamide;hydrochloride
CID 119733250

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylindol-5-yl)urea?
The IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylindol-5-yl)urea (CID 139889780) is 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylindol-5-yl)urea.
What is the SMILES notation for 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylindol-5-yl)urea?
The canonical SMILES for 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylindol-5-yl)urea is Cc1cc(C)n(-c2cccc(NC(=O)Nc3ccc4c(ccn4C)c3)c2)n1.
What is the InChIKey of 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylindol-5-yl)urea?
The InChIKey is XYZYLECOJFDJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-14-11-15(2)26(24-14)19-6-4-5-17(13-19)22-21(27)23-18-7-8-20-16(12-18)9-10-25(20)3/h4-13H,1-3H3,(H2,22,23,27).
What are the key properties of 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylindol-5-yl)urea?
1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylindol-5-yl)urea has a molecular weight of 359.43 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylindol-5-yl)urea is sourced from PubChem (CID 139889780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).