N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]propan-2-amine

C14H19ClN4 — CID 62294975

IUPACN-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]propan-2-amine
SMILESCc1nn(-c2cccc(CNC(C)C)n2)c(C)c1Cl
InChIInChI=1S/C14H19ClN4/c1-9(2)16-8-12-6-5-7-13(17-12)19-11(4)14(15)10(3)18-19/h5-7,9,16H,8H2,1-4H3
InChIKeyCRWIJTYZEHBAGD-UHFFFAOYSA-N
MW278.79 g/mol
LogP3.04
Rot. Bonds4

About N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]propan-2-amine

N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 62294975) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]propan-2-amine
PubChem CID62294975
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC NameN-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]propan-2-amine
SMILESCc1nn(-c2cccc(CNC(C)C)n2)c(C)c1Cl
InChIInChI=1S/C14H19ClN4/c1-9(2)16-8-12-6-5-7-13(17-12)19-11(4)14(15)10(3)18-19/h5-7,9,16H,8H2,1-4H3
InChIKeyCRWIJTYZEHBAGD-UHFFFAOYSA-N
XLogP3.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]propan-2-amine (CID 62294975) is N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]propan-2-amine is Cc1nn(-c2cccc(CNC(C)C)n2)c(C)c1Cl.
What is the InChIKey of N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is CRWIJTYZEHBAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-9(2)16-8-12-6-5-7-13(17-12)19-11(4)14(15)10(3)18-19/h5-7,9,16H,8H2,1-4H3.
What are the key properties of N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]propan-2-amine?
N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 278.79 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62294975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).