N-[1-[5-(4-chloro-3-methylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine

C14H19ClN4 — CID 83127342

IUPACN-[1-[5-(4-chloro-3-methylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-n2cc(Cl)c(C)n2)cn1
InChIInChI=1S/C14H19ClN4/c1-4-7-16-11(3)14-6-5-12(8-17-14)19-9-13(15)10(2)18-19/h5-6,8-9,11,16H,4,7H2,1-3H3
InChIKeyYSTPCCYBTLPILR-UHFFFAOYSA-N
MW278.79 g/mol
LogP3.29
Rot. Bonds5

About N-[1-[5-(4-chloro-3-methylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine

N-[1-[5-(4-chloro-3-methylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine (PubChem CID 83127342) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is N-[1-[5-(4-chloro-3-methylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(4-chloro-3-methylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine
PubChem CID83127342
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC NameN-[1-[5-(4-chloro-3-methylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-n2cc(Cl)c(C)n2)cn1
InChIInChI=1S/C14H19ClN4/c1-4-7-16-11(3)14-6-5-12(8-17-14)19-9-13(15)10(2)18-19/h5-6,8-9,11,16H,4,7H2,1-3H3
InChIKeyYSTPCCYBTLPILR-UHFFFAOYSA-N
XLogP3.29
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-chloro-3-methylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(4-chloro-3-methylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine (CID 83127342) is N-[1-[5-(4-chloro-3-methylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(4-chloro-3-methylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(4-chloro-3-methylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(-n2cc(Cl)c(C)n2)cn1.
What is the InChIKey of N-[1-[5-(4-chloro-3-methylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine?
The InChIKey is YSTPCCYBTLPILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-4-7-16-11(3)14-6-5-12(8-17-14)19-9-13(15)10(2)18-19/h5-6,8-9,11,16H,4,7H2,1-3H3.
What are the key properties of N-[1-[5-(4-chloro-3-methylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine?
N-[1-[5-(4-chloro-3-methylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine has a molecular weight of 278.79 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-chloro-3-methylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine is sourced from PubChem (CID 83127342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).