1-(5-chloro-2-pyridinyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine

C11H13ClN4 — CID 115908958

IUPAC1-(5-chloro-2-pyridinyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
SMILESCn1nccc1CNCc1ccc(Cl)cn1
InChIInChI=1S/C11H13ClN4/c1-16-11(4-5-15-16)8-13-7-10-3-2-9(12)6-14-10/h2-6,13H,7-8H2,1H3
InChIKeyWQBVDGRPBXKMJQ-UHFFFAOYSA-N
MW236.71 g/mol
LogP1.76
Rot. Bonds4

About 1-(5-chloro-2-pyridinyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine

1-(5-chloro-2-pyridinyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine (PubChem CID 115908958) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
PubChem CID115908958
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name1-(5-chloro-2-pyridinyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
SMILESCn1nccc1CNCc1ccc(Cl)cn1
InChIInChI=1S/C11H13ClN4/c1-16-11(4-5-15-16)8-13-7-10-3-2-9(12)6-14-10/h2-6,13H,7-8H2,1H3
InChIKeyWQBVDGRPBXKMJQ-UHFFFAOYSA-N
XLogP1.76
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[(2-methylpyrazol-3-yl)methylamino]methyl]pyridin-3-ol
CID 79794277
N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 115693281
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 104878601
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-4-ylmethanamine
CID 19626583
N-[(2-methylpyrazol-3-yl)methyl]-1-quinolin-2-ylmethanamine
CID 63001320
1-(2-methylpyrazol-3-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 19626588
1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19618976
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine
CID 19626584
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 63302222
5-chloro-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663388
N-[(5-chloro-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 58946113
2,2,2-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43663111

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine (CID 115908958) is 1-(5-chloro-2-pyridinyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine is Cn1nccc1CNCc1ccc(Cl)cn1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The InChIKey is WQBVDGRPBXKMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-16-11(4-5-15-16)8-13-7-10-3-2-9(12)6-14-10/h2-6,13H,7-8H2,1H3.
What are the key properties of 1-(5-chloro-2-pyridinyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
1-(5-chloro-2-pyridinyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine has a molecular weight of 236.71 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 115908958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).