4-chloro-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-5-amine

C10H11ClN4 — CID 104822090

IUPAC4-chloro-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-5-amine
SMILESCc1ccc(Cn2ncc(Cl)c2N)cn1
InChIInChI=1S/C10H11ClN4/c1-7-2-3-8(4-13-7)6-15-10(12)9(11)5-14-15/h2-5H,6,12H2,1H3
InChIKeyMXTIALVPRLUSPO-UHFFFAOYSA-N
MW222.68 g/mol
LogP1.87
Rot. Bonds2

About 4-chloro-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-5-amine

4-chloro-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-5-amine (PubChem CID 104822090) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 4-chloro-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-chloro-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-5-amine
PubChem CID104822090
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name4-chloro-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-5-amine
SMILESCc1ccc(Cn2ncc(Cl)c2N)cn1
InChIInChI=1S/C10H11ClN4/c1-7-2-3-8(4-13-7)6-15-10(12)9(11)5-14-15/h2-5H,6,12H2,1H3
InChIKeyMXTIALVPRLUSPO-UHFFFAOYSA-N
XLogP1.87
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-bromo-4-chlorophenyl)methyl]-4-chloropyrazol-5-amine
CID 83230518
4-chloro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine
CID 130580306
1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrazol-5-amine
CID 114936958
5-[(2,5-dimethylpyrrol-1-yl)methyl]-2-methylpyridine
CID 62993324
5-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-2-methylpyridine
CID 63385116
4-chloro-1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-5-amine
CID 113328791
4-methyl-1-[(4-phenylphenyl)methyl]pyrazol-5-amine
CID 29060877
4-(3-aminopropyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine
CID 115069683
5-[[5-(chloromethyl)imidazol-1-yl]methyl]-2-methylpyridine
CID 66149795
ethane;1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylindazole
CID 177179500
(6-methyl-3-pyridinyl)methanamine;hydrobromide
CID 133057273
4-iodo-1-[(2-methylquinolin-6-yl)methyl]pyrazol-5-amine
CID 105378748

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-5-amine?
The IUPAC name of 4-chloro-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-5-amine (CID 104822090) is 4-chloro-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-5-amine.
What is the SMILES notation for 4-chloro-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-5-amine?
The canonical SMILES for 4-chloro-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-5-amine is Cc1ccc(Cn2ncc(Cl)c2N)cn1.
What is the InChIKey of 4-chloro-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-5-amine?
The InChIKey is MXTIALVPRLUSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-7-2-3-8(4-13-7)6-15-10(12)9(11)5-14-15/h2-5H,6,12H2,1H3.
What are the key properties of 4-chloro-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-5-amine?
4-chloro-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-5-amine has a molecular weight of 222.68 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-5-amine is sourced from PubChem (CID 104822090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).