N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropan-1-amine

C16H23N3 — CID 77093539

IUPACN-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropan-1-amine
SMILESCN(CCCc1ccccc1)CCc1cnn(C)c1
InChIInChI=1S/C16H23N3/c1-18(12-10-16-13-17-19(2)14-16)11-6-9-15-7-4-3-5-8-15/h3-5,7-8,13-14H,6,9-12H2,1-2H3
InChIKeyTWKWURKIIXLWIU-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.53
Rot. Bonds7

About N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropan-1-amine

N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropan-1-amine (PubChem CID 77093539) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropan-1-amine
PubChem CID77093539
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropan-1-amine
SMILESCN(CCCc1ccccc1)CCc1cnn(C)c1
InChIInChI=1S/C16H23N3/c1-18(12-10-16-13-17-19(2)14-16)11-6-9-15-7-4-3-5-8-15/h3-5,7-8,13-14H,6,9-12H2,1-2H3
InChIKeyTWKWURKIIXLWIU-UHFFFAOYSA-N
XLogP2.53
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]acetic acid
CID 56703387
N-benzyl-5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrimidin-2-amine
CID 77091082
methyl 4-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]butanoate
CID 103013993
4-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]benzoic acid
CID 103004734
N-benzyl-2-bromo-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 80678771
N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenyltriazole-4-carboxamide
CID 56886594
N-[(1-methylpyrazol-4-yl)methyl]-2-phenylethanamine;hydrochloride
CID 126966836
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
3-[4-(2-bromocyclopropyl)phenyl]-N-methyl-N-(2-phenylethyl)propan-1-amine
CID 70243904
3-[4-(2-fluorocyclopropyl)phenyl]-N-methyl-N-(2-phenylethyl)propan-1-amine
CID 70243797
N'-hydroxy-3-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]benzenecarboximidamide
CID 103002972
N-methyl-N-(3-phenylpropyl)decan-1-amine;hydrochloride
CID 174059369

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropan-1-amine?
The IUPAC name of N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropan-1-amine (CID 77093539) is N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropan-1-amine.
What is the SMILES notation for N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropan-1-amine?
The canonical SMILES for N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropan-1-amine is CN(CCCc1ccccc1)CCc1cnn(C)c1.
What is the InChIKey of N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropan-1-amine?
The InChIKey is TWKWURKIIXLWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-18(12-10-16-13-17-19(2)14-16)11-6-9-15-7-4-3-5-8-15/h3-5,7-8,13-14H,6,9-12H2,1-2H3.
What are the key properties of N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropan-1-amine?
N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 77093539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).