4-(1-methylpyrazol-4-yl)-N-propyl-1-pyridin-4-ylbutan-2-amine

C16H24N4 — CID 103009812

IUPAC4-(1-methylpyrazol-4-yl)-N-propyl-1-pyridin-4-ylbutan-2-amine
SMILESCCCNC(CCc1cnn(C)c1)Cc1ccncc1
InChIInChI=1S/C16H24N4/c1-3-8-18-16(11-14-6-9-17-10-7-14)5-4-15-12-19-20(2)13-15/h6-7,9-10,12-13,16,18H,3-5,8,11H2,1-2H3
InChIKeyMYSHWHXJOOAQMX-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.36
Rot. Bonds8

About 4-(1-methylpyrazol-4-yl)-N-propyl-1-pyridin-4-ylbutan-2-amine

4-(1-methylpyrazol-4-yl)-N-propyl-1-pyridin-4-ylbutan-2-amine (PubChem CID 103009812) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-N-propyl-1-pyridin-4-ylbutan-2-amine.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-N-propyl-1-pyridin-4-ylbutan-2-amine
PubChem CID103009812
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name4-(1-methylpyrazol-4-yl)-N-propyl-1-pyridin-4-ylbutan-2-amine
SMILESCCCNC(CCc1cnn(C)c1)Cc1ccncc1
InChIInChI=1S/C16H24N4/c1-3-8-18-16(11-14-6-9-17-10-7-14)5-4-15-12-19-20(2)13-15/h6-7,9-10,12-13,16,18H,3-5,8,11H2,1-2H3
InChIKeyMYSHWHXJOOAQMX-UHFFFAOYSA-N
XLogP2.36
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpyrazol-4-yl)-N-propylundecan-3-amine
CID 103029553
4-(1-methylpyrazol-4-yl)-1-propoxy-N-propylbutan-2-amine
CID 103009702
5,5-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-2-amine
CID 114211898
1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 62128223
N-[1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62551417
N-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine
CID 105179991
1-(1-methylpyrazol-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 105113681
4-methoxy-N-propyl-1-pyridin-4-ylbutan-2-amine
CID 62605290
1-(2-methyltetrazol-5-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine
CID 107065461
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine
CID 80688590
N-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine
CID 63775624
4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 62126818

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-N-propyl-1-pyridin-4-ylbutan-2-amine?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-N-propyl-1-pyridin-4-ylbutan-2-amine (CID 103009812) is 4-(1-methylpyrazol-4-yl)-N-propyl-1-pyridin-4-ylbutan-2-amine.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-N-propyl-1-pyridin-4-ylbutan-2-amine?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-N-propyl-1-pyridin-4-ylbutan-2-amine is CCCNC(CCc1cnn(C)c1)Cc1ccncc1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-N-propyl-1-pyridin-4-ylbutan-2-amine?
The InChIKey is MYSHWHXJOOAQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-3-8-18-16(11-14-6-9-17-10-7-14)5-4-15-12-19-20(2)13-15/h6-7,9-10,12-13,16,18H,3-5,8,11H2,1-2H3.
What are the key properties of 4-(1-methylpyrazol-4-yl)-N-propyl-1-pyridin-4-ylbutan-2-amine?
4-(1-methylpyrazol-4-yl)-N-propyl-1-pyridin-4-ylbutan-2-amine has a molecular weight of 272.40 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-N-propyl-1-pyridin-4-ylbutan-2-amine is sourced from PubChem (CID 103009812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).