1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine

C15H21ClN4 — CID 105183735

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
SMILESCNC(CCc1ccccn1)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C15H21ClN4/c1-11(2)20-15(13(16)10-19-20)14(17-3)8-7-12-6-4-5-9-18-12/h4-6,9-11,14,17H,7-8H2,1-3H3
InChIKeyDBAXRWVNARTSKV-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.41
Rot. Bonds6

About 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine (PubChem CID 105183735) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
PubChem CID105183735
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
SMILESCNC(CCc1ccccn1)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C15H21ClN4/c1-11(2)20-15(13(16)10-19-20)14(17-3)8-7-12-6-4-5-9-18-12/h4-6,9-11,14,17H,7-8H2,1-3H3
InChIKeyDBAXRWVNARTSKV-UHFFFAOYSA-N
XLogP3.41
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105184130
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-propan-2-yloxyethanamine
CID 105183622
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-propoxyethanamine
CID 114649102
N-methyl-1-(2-propylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine
CID 105148151
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 106465261
N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine
CID 105160457
N-methyl-1-(2-methylphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105094755
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine
CID 114648285
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-pyridin-2-ylethyl]hydrazine
CID 105199815
N-methyl-1-(5-methyl-3-pyridinyl)-3-pyridin-2-ylpropan-1-amine
CID 105173940
1-(4-ethoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105140831
1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine
CID 114198061

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine (CID 105183735) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine is CNC(CCc1ccccn1)c1c(Cl)cnn1C(C)C.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
The InChIKey is DBAXRWVNARTSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-11(2)20-15(13(16)10-19-20)14(17-3)8-7-12-6-4-5-9-18-12/h4-6,9-11,14,17H,7-8H2,1-3H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine has a molecular weight of 292.81 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 105183735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).