N-propyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-1-amine

C15H22N4 — CID 10753707

IUPACN-propyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-1-amine
SMILESCCCN(CCC)Cc1cccc(-n2cccn2)n1
InChIInChI=1S/C15H22N4/c1-3-10-18(11-4-2)13-14-7-5-8-15(17-14)19-12-6-9-16-19/h5-9,12H,3-4,10-11,13H2,1-2H3
InChIKeyDCAJWVRCIXNRPO-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.89
Rot. Bonds7

About N-propyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-1-amine

N-propyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-1-amine (PubChem CID 10753707) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-propyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-propyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-1-amine
PubChem CID10753707
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-propyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-1-amine
SMILESCCCN(CCC)Cc1cccc(-n2cccn2)n1
InChIInChI=1S/C15H22N4/c1-3-10-18(11-4-2)13-14-7-5-8-15(17-14)19-12-6-9-16-19/h5-9,12H,3-4,10-11,13H2,1-2H3
InChIKeyDCAJWVRCIXNRPO-UHFFFAOYSA-N
XLogP2.89
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-propyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-1-amine (CID 10753707) is N-propyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-propyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-propyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-1-amine is CCCN(CCC)Cc1cccc(-n2cccn2)n1.
What is the InChIKey of N-propyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is DCAJWVRCIXNRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-3-10-18(11-4-2)13-14-7-5-8-15(17-14)19-12-6-9-16-19/h5-9,12H,3-4,10-11,13H2,1-2H3.
What are the key properties of N-propyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-1-amine?
N-propyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 10753707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).