4-chloro-3-methyl-1-propylpyrazol-5-amine

C7H12ClN3 — CID 19619872

IUPAC4-chloro-3-methyl-1-propylpyrazol-5-amine
SMILESCCCn1nc(C)c(Cl)c1N
InChIInChI=1S/C7H12ClN3/c1-3-4-11-7(9)6(8)5(2)10-11/h3-4,9H2,1-2H3
InChIKeyMNHBHSOCKFZSQP-UHFFFAOYSA-N
MW173.65 g/mol
LogP1.84
Rot. Bonds2

About 4-chloro-3-methyl-1-propylpyrazol-5-amine

4-chloro-3-methyl-1-propylpyrazol-5-amine (PubChem CID 19619872) has the molecular formula C7H12ClN3 and a molecular weight of 173.65 g/mol. Its IUPAC name is 4-chloro-3-methyl-1-propylpyrazol-5-amine.

Molecular Properties

Compound Name4-chloro-3-methyl-1-propylpyrazol-5-amine
PubChem CID19619872
Molecular FormulaC7H12ClN3
Molecular Weight173.65 g/mol
Exact Mass173.07
IUPAC Name4-chloro-3-methyl-1-propylpyrazol-5-amine
SMILESCCCn1nc(C)c(Cl)c1N
InChIInChI=1S/C7H12ClN3/c1-3-4-11-7(9)6(8)5(2)10-11/h3-4,9H2,1-2H3
InChIKeyMNHBHSOCKFZSQP-UHFFFAOYSA-N
XLogP1.84
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.65
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-1-propylpyrazol-5-amine?
The IUPAC name of 4-chloro-3-methyl-1-propylpyrazol-5-amine (CID 19619872) is 4-chloro-3-methyl-1-propylpyrazol-5-amine.
What is the SMILES notation for 4-chloro-3-methyl-1-propylpyrazol-5-amine?
The canonical SMILES for 4-chloro-3-methyl-1-propylpyrazol-5-amine is CCCn1nc(C)c(Cl)c1N.
What is the InChIKey of 4-chloro-3-methyl-1-propylpyrazol-5-amine?
The InChIKey is MNHBHSOCKFZSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3/c1-3-4-11-7(9)6(8)5(2)10-11/h3-4,9H2,1-2H3.
What are the key properties of 4-chloro-3-methyl-1-propylpyrazol-5-amine?
4-chloro-3-methyl-1-propylpyrazol-5-amine has a molecular weight of 173.65 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-1-propylpyrazol-5-amine is sourced from PubChem (CID 19619872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).