N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chloropyridin-2-amine

C10H12ClN5 — CID 79524310

IUPACN-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chloropyridin-2-amine
SMILESCn1ncc(CNc2ccc(Cl)cn2)c1N
InChIInChI=1S/C10H12ClN5/c1-16-10(12)7(5-15-16)4-13-9-3-2-8(11)6-14-9/h2-3,5-6H,4,12H2,1H3,(H,13,14)
InChIKeyYLLXVUOPSHLSHD-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.66
Rot. Bonds3

About N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chloropyridin-2-amine

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chloropyridin-2-amine (PubChem CID 79524310) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chloropyridin-2-amine.

Molecular Properties

Compound NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chloropyridin-2-amine
PubChem CID79524310
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chloropyridin-2-amine
SMILESCn1ncc(CNc2ccc(Cl)cn2)c1N
InChIInChI=1S/C10H12ClN5/c1-16-10(12)7(5-15-16)4-13-9-3-2-8(11)6-14-9/h2-3,5-6H,4,12H2,1H3,(H,13,14)
InChIKeyYLLXVUOPSHLSHD-UHFFFAOYSA-N
XLogP1.66
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chloropyridin-2-amine?
The IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chloropyridin-2-amine (CID 79524310) is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chloropyridin-2-amine.
What is the SMILES notation for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chloropyridin-2-amine?
The canonical SMILES for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chloropyridin-2-amine is Cn1ncc(CNc2ccc(Cl)cn2)c1N.
What is the InChIKey of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chloropyridin-2-amine?
The InChIKey is YLLXVUOPSHLSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-16-10(12)7(5-15-16)4-13-9-3-2-8(11)6-14-9/h2-3,5-6H,4,12H2,1H3,(H,13,14).
What are the key properties of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chloropyridin-2-amine?
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chloropyridin-2-amine has a molecular weight of 237.69 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chloropyridin-2-amine is sourced from PubChem (CID 79524310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).