1-(3-amino-1H-indazol-5-yl)-3-[1-(3-methoxyphenyl)ethyl]urea

C17H19N5O2 — CID 74387811

IUPAC1-(3-amino-1H-indazol-5-yl)-3-[1-(3-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(C(C)NC(=O)Nc2ccc3[nH]nc(N)c3c2)c1
InChIInChI=1S/C17H19N5O2/c1-10(11-4-3-5-13(8-11)24-2)19-17(23)20-12-6-7-15-14(9-12)16(18)22-21-15/h3-10H,1-2H3,(H3,18,21,22)(H2,19,20,23)
InChIKeyQVYCIAYMHUEOGI-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.04
Rot. Bonds4

About 1-(3-amino-1H-indazol-5-yl)-3-[1-(3-methoxyphenyl)ethyl]urea

1-(3-amino-1H-indazol-5-yl)-3-[1-(3-methoxyphenyl)ethyl]urea (PubChem CID 74387811) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-(3-amino-1H-indazol-5-yl)-3-[1-(3-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-amino-1H-indazol-5-yl)-3-[1-(3-methoxyphenyl)ethyl]urea
PubChem CID74387811
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1-(3-amino-1H-indazol-5-yl)-3-[1-(3-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(C(C)NC(=O)Nc2ccc3[nH]nc(N)c3c2)c1
InChIInChI=1S/C17H19N5O2/c1-10(11-4-3-5-13(8-11)24-2)19-17(23)20-12-6-7-15-14(9-12)16(18)22-21-15/h3-10H,1-2H3,(H3,18,21,22)(H2,19,20,23)
InChIKeyQVYCIAYMHUEOGI-UHFFFAOYSA-N
XLogP3.04
TPSA105.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-amino-1H-indazol-5-yl)-3-[(1S)-1-(3-nitrophenyl)ethyl]urea
CID 68926240
2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1H-imidazole-5-carboxamide
CID 11617749
2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 11625034
1-(3-methoxyphenyl)-3-[1-(1H-pyrazol-4-yl)ethyl]urea
CID 103853156
1-[1-(4-tert-butylphenyl)ethyl]-3-(3-methoxyphenyl)urea
CID 133204286
1-[1-(3-bromophenyl)ethyl]-3-(4-methoxyphenyl)urea
CID 60736302
2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 81372926
1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea
CID 122195167
1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea
CID 108869391
4-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 81373217
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 60927518
1-[1-(3-aminophenyl)ethyl]-3-(4-fluorophenyl)urea
CID 43298096

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1H-indazol-5-yl)-3-[1-(3-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(3-amino-1H-indazol-5-yl)-3-[1-(3-methoxyphenyl)ethyl]urea (CID 74387811) is 1-(3-amino-1H-indazol-5-yl)-3-[1-(3-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(3-amino-1H-indazol-5-yl)-3-[1-(3-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(3-amino-1H-indazol-5-yl)-3-[1-(3-methoxyphenyl)ethyl]urea is COc1cccc(C(C)NC(=O)Nc2ccc3[nH]nc(N)c3c2)c1.
What is the InChIKey of 1-(3-amino-1H-indazol-5-yl)-3-[1-(3-methoxyphenyl)ethyl]urea?
The InChIKey is QVYCIAYMHUEOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-10(11-4-3-5-13(8-11)24-2)19-17(23)20-12-6-7-15-14(9-12)16(18)22-21-15/h3-10H,1-2H3,(H3,18,21,22)(H2,19,20,23).
What are the key properties of 1-(3-amino-1H-indazol-5-yl)-3-[1-(3-methoxyphenyl)ethyl]urea?
1-(3-amino-1H-indazol-5-yl)-3-[1-(3-methoxyphenyl)ethyl]urea has a molecular weight of 325.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1H-indazol-5-yl)-3-[1-(3-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 74387811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).