5-(cyclobutylmethyl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine

C15H19N3O — CID 103163957

IUPAC5-(cyclobutylmethyl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccccc1-c1c(N)n[nH]c1CC1CCC1
InChIInChI=1S/C15H19N3O/c1-19-13-8-3-2-7-11(13)14-12(17-18-15(14)16)9-10-5-4-6-10/h2-3,7-8,10H,4-6,9H2,1H3,(H3,16,17,18)
InChIKeyRKVVZVCGKYUURE-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.01
Rot. Bonds4

About 5-(cyclobutylmethyl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine

5-(cyclobutylmethyl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 103163957) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-(cyclobutylmethyl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(cyclobutylmethyl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine
PubChem CID103163957
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-(cyclobutylmethyl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccccc1-c1c(N)n[nH]c1CC1CCC1
InChIInChI=1S/C15H19N3O/c1-19-13-8-3-2-7-11(13)14-12(17-18-15(14)16)9-10-5-4-6-10/h2-3,7-8,10H,4-6,9H2,1H3,(H3,16,17,18)
InChIKeyRKVVZVCGKYUURE-UHFFFAOYSA-N
XLogP3.01
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclobutylmethyl)-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine
CID 103163941
4-(3-chlorophenyl)-5-(cyclobutylmethyl)-1H-pyrazol-3-amine
CID 103163943
5-(cyclohexylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 62829064
5-(cyclobutylmethyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
CID 103164012
3-amino-4-(2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82082687
5-ethyl-4-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 82083321
5-cyclohexyl-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198368
4-(2-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine
CID 103556830
5-(2,5-dibromothiophen-3-yl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine
CID 107962588
6-(2-methoxyphenyl)-1H-indazol-3-amine
CID 11694382
(4R)-4-[[5-(2-methoxyphenyl)pyrazin-2-yl]methyl]azepane
CID 125014341
4-[[5-(2-methoxyphenyl)pyrazin-2-yl]methyl]azepane
CID 110090064

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethyl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(cyclobutylmethyl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine (CID 103163957) is 5-(cyclobutylmethyl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(cyclobutylmethyl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(cyclobutylmethyl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine is COc1ccccc1-c1c(N)n[nH]c1CC1CCC1.
What is the InChIKey of 5-(cyclobutylmethyl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is RKVVZVCGKYUURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-13-8-3-2-7-11(13)14-12(17-18-15(14)16)9-10-5-4-6-10/h2-3,7-8,10H,4-6,9H2,1H3,(H3,16,17,18).
What are the key properties of 5-(cyclobutylmethyl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine?
5-(cyclobutylmethyl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 257.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethyl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 103163957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).