N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine

C15H21ClN4 — CID 78895110

IUPACN-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
SMILESCc1cccc(CNCc2c(C(C)C)nn(C)c2Cl)n1
InChIInChI=1S/C15H21ClN4/c1-10(2)14-13(15(16)20(4)19-14)9-17-8-12-7-5-6-11(3)18-12/h5-7,10,17H,8-9H2,1-4H3
InChIKeyPZKYKQUNPPUORX-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.19
Rot. Bonds5

About N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine

N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine (PubChem CID 78895110) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
PubChem CID78895110
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC NameN-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
SMILESCc1cccc(CNCc2c(C(C)C)nn(C)c2Cl)n1
InChIInChI=1S/C15H21ClN4/c1-10(2)14-13(15(16)20(4)19-14)9-17-8-12-7-5-6-11(3)18-12/h5-7,10,17H,8-9H2,1-4H3
InChIKeyPZKYKQUNPPUORX-UHFFFAOYSA-N
XLogP3.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine?
The IUPAC name of N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine (CID 78895110) is N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine?
The canonical SMILES for N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine is Cc1cccc(CNCc2c(C(C)C)nn(C)c2Cl)n1.
What is the InChIKey of N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine?
The InChIKey is PZKYKQUNPPUORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-10(2)14-13(15(16)20(4)19-14)9-17-8-12-7-5-6-11(3)18-12/h5-7,10,17H,8-9H2,1-4H3.
What are the key properties of N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine?
N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine has a molecular weight of 292.81 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 78895110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).