(4-methoxy-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanamine

C16H21N3O — CID 114650812

IUPAC(4-methoxy-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanamine
SMILESCOc1cnn(C)c1C(N)C1(c2ccccc2)CCC1
InChIInChI=1S/C16H21N3O/c1-19-14(13(20-2)11-18-19)15(17)16(9-6-10-16)12-7-4-3-5-8-12/h3-5,7-8,11,15H,6,9-10,17H2,1-2H3
InChIKeyNXMQCFGLDWASEX-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.55
Rot. Bonds4

About (4-methoxy-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanamine

(4-methoxy-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanamine (PubChem CID 114650812) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (4-methoxy-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanamine.

Molecular Properties

Compound Name(4-methoxy-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanamine
PubChem CID114650812
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(4-methoxy-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanamine
SMILESCOc1cnn(C)c1C(N)C1(c2ccccc2)CCC1
InChIInChI=1S/C16H21N3O/c1-19-14(13(20-2)11-18-19)15(17)16(9-6-10-16)12-7-4-3-5-8-12/h3-5,7-8,11,15H,6,9-10,17H2,1-2H3
InChIKeyNXMQCFGLDWASEX-UHFFFAOYSA-N
XLogP2.55
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(4-methoxy-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methyl]hydrazine
CID 105217366
(4-methoxy-1-methylpyrazol-5-yl)-(1-phenylcyclopropyl)methanol
CID 114643567
(1-methoxycycloheptyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114662048
(2-methoxyphenyl)-(1-phenylcyclopentyl)methanamine
CID 63080445
(4-methoxy-1-methylpyrazol-5-yl)-(2-methylthiolan-2-yl)methanamine
CID 105186271
(1-methoxy-4,4-dimethylcyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114662029
2-(1-methoxycyclobutyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 103559895
1-[hydroxy-(4-methoxy-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol
CID 103451587
1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylbutan-1-amine
CID 105047114
(1-ethylpyrazol-4-yl)-(1-phenylcyclobutyl)methanamine
CID 55182305
cyclopropyl-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114646874
2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114659976

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanamine?
The IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanamine (CID 114650812) is (4-methoxy-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanamine.
What is the SMILES notation for (4-methoxy-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanamine?
The canonical SMILES for (4-methoxy-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanamine is COc1cnn(C)c1C(N)C1(c2ccccc2)CCC1.
What is the InChIKey of (4-methoxy-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanamine?
The InChIKey is NXMQCFGLDWASEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19-14(13(20-2)11-18-19)15(17)16(9-6-10-16)12-7-4-3-5-8-12/h3-5,7-8,11,15H,6,9-10,17H2,1-2H3.
What are the key properties of (4-methoxy-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanamine?
(4-methoxy-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanamine has a molecular weight of 271.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanamine is sourced from PubChem (CID 114650812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).