N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-1-amine

C17H24ClN3 — CID 114667317

IUPACN-[3-(4-chloro-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(Cc1c(Cl)cnn1C)c1ccccc1
InChIInChI=1S/C17H24ClN3/c1-13(2)10-19-11-15(14-7-5-4-6-8-14)9-17-16(18)12-20-21(17)3/h4-8,12-13,15,19H,9-11H2,1-3H3
InChIKeyJHGMZWCHUZYRNP-UHFFFAOYSA-N
MW305.85 g/mol
LogP3.65
Rot. Bonds7

About N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-1-amine

N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-1-amine (PubChem CID 114667317) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-1-amine
PubChem CID114667317
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(Cc1c(Cl)cnn1C)c1ccccc1
InChIInChI=1S/C17H24ClN3/c1-13(2)10-19-11-15(14-7-5-4-6-8-14)9-17-16(18)12-20-21(17)3/h4-8,12-13,15,19H,9-11H2,1-3H3
InChIKeyJHGMZWCHUZYRNP-UHFFFAOYSA-N
XLogP3.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine
CID 114667287
N-[3-(2-ethylpyrazol-3-yl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 81027901
2-methyl-N-[3-(1-methylpyrazol-3-yl)-2-phenylpropyl]propan-1-amine
CID 82871053
N-[3-(4-bromo-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-2-amine
CID 114667316
2-methyl-N-(2-phenyl-3-pyridin-3-ylpropyl)propan-1-amine
CID 81024756
3-(2-methylpropylamino)-2-phenylpropan-1-ol
CID 115876691
N-[3-(5-bromo-2-pyridinyl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 104810744
3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanal
CID 83828956
3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanoic acid
CID 83832130
1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-methyl-3-(1-phenylethyl)thiourea
CID 19465006
N-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine
CID 103984701
N-[3-(4-bromothiophen-2-yl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 65429324

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-1-amine (CID 114667317) is N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-1-amine is CC(C)CNCC(Cc1c(Cl)cnn1C)c1ccccc1.
What is the InChIKey of N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-1-amine?
The InChIKey is JHGMZWCHUZYRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-13(2)10-19-11-15(14-7-5-4-6-8-14)9-17-16(18)12-20-21(17)3/h4-8,12-13,15,19H,9-11H2,1-3H3.
What are the key properties of N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-1-amine?
N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-1-amine has a molecular weight of 305.85 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114667317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).