N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine

C16H21N3O — CID 106209383

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
SMILESCOc1ccc(C(NC(C)c2cn[nH]c2)C2CC2)cc1
InChIInChI=1S/C16H21N3O/c1-11(14-9-17-18-10-14)19-16(12-3-4-12)13-5-7-15(20-2)8-6-13/h5-12,16,19H,3-4H2,1-2H3,(H,17,18)
InChIKeyBBAGHUJIAYOUQV-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.22
Rot. Bonds6

About N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine

N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine (PubChem CID 106209383) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
PubChem CID106209383
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
SMILESCOc1ccc(C(NC(C)c2cn[nH]c2)C2CC2)cc1
InChIInChI=1S/C16H21N3O/c1-11(14-9-17-18-10-14)19-16(12-3-4-12)13-5-7-15(20-2)8-6-13/h5-12,16,19H,3-4H2,1-2H3,(H,17,18)
InChIKeyBBAGHUJIAYOUQV-UHFFFAOYSA-N
XLogP3.22
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 106209490
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106281955
(1R)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403675
1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 115708071
N-[cyclopropyl-(4-methoxyphenyl)methyl]butan-2-amine
CID 43756360
3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine
CID 106209304
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 60946052
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 61468819
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
(1R)-N-[cyclopropyl(phenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81381917

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine (CID 106209383) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine is COc1ccc(C(NC(C)c2cn[nH]c2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine?
The InChIKey is BBAGHUJIAYOUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(14-9-17-18-10-14)19-16(12-3-4-12)13-5-7-15(20-2)8-6-13/h5-12,16,19H,3-4H2,1-2H3,(H,17,18).
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine?
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine has a molecular weight of 271.36 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine is sourced from PubChem (CID 106209383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).