4-chloro-3-methyl-1-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine

C11H16ClN5 — CID 103571670

IUPAC4-chloro-3-methyl-1-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine
SMILESCCCn1cc(Cn2nc(C)c(Cl)c2N)cn1
InChIInChI=1S/C11H16ClN5/c1-3-4-16-6-9(5-14-16)7-17-11(13)10(12)8(2)15-17/h5-6H,3-4,7,13H2,1-2H3
InChIKeySWWMAWAECFNYAM-UHFFFAOYSA-N
MW253.74 g/mol
LogP2.08
Rot. Bonds4

About 4-chloro-3-methyl-1-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine

4-chloro-3-methyl-1-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine (PubChem CID 103571670) has the molecular formula C11H16ClN5 and a molecular weight of 253.74 g/mol. Its IUPAC name is 4-chloro-3-methyl-1-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-chloro-3-methyl-1-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine
PubChem CID103571670
Molecular FormulaC11H16ClN5
Molecular Weight253.74 g/mol
Exact Mass253.11
IUPAC Name4-chloro-3-methyl-1-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine
SMILESCCCn1cc(Cn2nc(C)c(Cl)c2N)cn1
InChIInChI=1S/C11H16ClN5/c1-3-4-16-6-9(5-14-16)7-17-11(13)10(12)8(2)15-17/h5-6H,3-4,7,13H2,1-2H3
InChIKeySWWMAWAECFNYAM-UHFFFAOYSA-N
XLogP2.08
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.74
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-1-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine?
The IUPAC name of 4-chloro-3-methyl-1-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine (CID 103571670) is 4-chloro-3-methyl-1-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine.
What is the SMILES notation for 4-chloro-3-methyl-1-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine?
The canonical SMILES for 4-chloro-3-methyl-1-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine is CCCn1cc(Cn2nc(C)c(Cl)c2N)cn1.
What is the InChIKey of 4-chloro-3-methyl-1-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine?
The InChIKey is SWWMAWAECFNYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5/c1-3-4-16-6-9(5-14-16)7-17-11(13)10(12)8(2)15-17/h5-6H,3-4,7,13H2,1-2H3.
What are the key properties of 4-chloro-3-methyl-1-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine?
4-chloro-3-methyl-1-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine has a molecular weight of 253.74 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-1-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine is sourced from PubChem (CID 103571670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).