N-[(3-methoxyphenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride

C15H22ClN3O — CID 126965644

IUPACN-[(3-methoxyphenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
SMILESCCCn1cc(NCc2cccc(OC)c2)c(C)n1.Cl
InChIInChI=1S/C15H21N3O.ClH/c1-4-8-18-11-15(12(2)17-18)16-10-13-6-5-7-14(9-13)19-3;/h5-7,9,11,16H,4,8,10H2,1-3H3;1H
InChIKeyRANVJZDGSWGMPS-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.64
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride

N-[(3-methoxyphenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride (PubChem CID 126965644) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
PubChem CID126965644
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
SMILESCCCn1cc(NCc2cccc(OC)c2)c(C)n1.Cl
InChIInChI=1S/C15H21N3O.ClH/c1-4-8-18-11-15(12(2)17-18)16-10-13-6-5-7-14(9-13)19-3;/h5-7,9,11,16H,4,8,10H2,1-3H3;1H
InChIKeyRANVJZDGSWGMPS-UHFFFAOYSA-N
XLogP3.64
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-[[(3-methyl-1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride
CID 126965311
N-[(4-fluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
CID 126964491
N-benzyl-1-ethyl-3-methylpyrazol-4-amine;hydrochloride
CID 126964772
3-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122167638
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122166471
N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866875
1-butyl-N-[(3-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 19625975
N-[(1-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
CID 126966840
2,4,5-trichloro-N-[(3-methoxyphenyl)methyl]aniline
CID 29266547
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 19625240
4-chloro-5-[(3-methoxyphenyl)methylamino]-2-propylpyridazin-3-one
CID 114433908
N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122166720

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride (CID 126965644) is N-[(3-methoxyphenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride is CCCn1cc(NCc2cccc(OC)c2)c(C)n1.Cl.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride?
The InChIKey is RANVJZDGSWGMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O.ClH/c1-4-8-18-11-15(12(2)17-18)16-10-13-6-5-7-14(9-13)19-3;/h5-7,9,11,16H,4,8,10H2,1-3H3;1H.
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride?
N-[(3-methoxyphenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride has a molecular weight of 295.81 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 126965644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).