1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]cyclopropan-1-amine

C14H17N3O — CID 176804108

IUPAC1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]cyclopropan-1-amine
SMILESCOc1ccc(Cn2cc(C3(N)CC3)cn2)cc1
InChIInChI=1S/C14H17N3O/c1-18-13-4-2-11(3-5-13)9-17-10-12(8-16-17)14(15)6-7-14/h2-5,8,10H,6-7,9,15H2,1H3
InChIKeyIXWISHZRADNZRQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.89
Rot. Bonds4

About 1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]cyclopropan-1-amine

1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]cyclopropan-1-amine (PubChem CID 176804108) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]cyclopropan-1-amine
PubChem CID176804108
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]cyclopropan-1-amine
SMILESCOc1ccc(Cn2cc(C3(N)CC3)cn2)cc1
InChIInChI=1S/C14H17N3O/c1-18-13-4-2-11(3-5-13)9-17-10-12(8-16-17)14(15)6-7-14/h2-5,8,10H,6-7,9,15H2,1H3
InChIKeyIXWISHZRADNZRQ-UHFFFAOYSA-N
XLogP1.89
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrazole
CID 155787800
4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]aniline
CID 63328527
1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 83894143
(3R)-1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]piperidin-3-amine
CID 95387512
ethyl (E)-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]prop-2-enoate
CID 165134035
3-methoxy-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridazine
CID 72855762
1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazol-4-amine
CID 141333156
1-(4-aminophenyl)-3-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]urea
CID 135223350
(2S)-2-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]acetic acid
CID 97277528
2-chloro-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridine
CID 137373649
5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxylic acid
CID 122559517
5-fluoro-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyrimidine
CID 74251099

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]cyclopropan-1-amine?
The IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]cyclopropan-1-amine (CID 176804108) is 1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]cyclopropan-1-amine is COc1ccc(Cn2cc(C3(N)CC3)cn2)cc1.
What is the InChIKey of 1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]cyclopropan-1-amine?
The InChIKey is IXWISHZRADNZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-18-13-4-2-11(3-5-13)9-17-10-12(8-16-17)14(15)6-7-14/h2-5,8,10H,6-7,9,15H2,1H3.
What are the key properties of 1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]cyclopropan-1-amine?
1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]cyclopropan-1-amine has a molecular weight of 243.31 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]cyclopropan-1-amine is sourced from PubChem (CID 176804108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).