4-chloro-1-propan-2-ylpyrazol-3-amine;hydrochloride

C6H11Cl2N3 — CID 90484325

IUPAC4-chloro-1-propan-2-ylpyrazol-3-amine;hydrochloride
SMILESCC(C)n1cc(Cl)c(N)n1.Cl
InChIInChI=1S/C6H10ClN3.ClH/c1-4(2)10-3-5(7)6(8)9-10;/h3-4H,1-2H3,(H2,8,9);1H
InChIKeyFPYWFEDPRSVBQH-UHFFFAOYSA-N
MW196.08 g/mol
LogP2.12
Rot. Bonds1

About 4-chloro-1-propan-2-ylpyrazol-3-amine;hydrochloride

4-chloro-1-propan-2-ylpyrazol-3-amine;hydrochloride (PubChem CID 90484325) has the molecular formula C6H11Cl2N3 and a molecular weight of 196.08 g/mol. Its IUPAC name is 4-chloro-1-propan-2-ylpyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name4-chloro-1-propan-2-ylpyrazol-3-amine;hydrochloride
PubChem CID90484325
Molecular FormulaC6H11Cl2N3
Molecular Weight196.08 g/mol
Exact Mass195.03
IUPAC Name4-chloro-1-propan-2-ylpyrazol-3-amine;hydrochloride
SMILESCC(C)n1cc(Cl)c(N)n1.Cl
InChIInChI=1S/C6H10ClN3.ClH/c1-4(2)10-3-5(7)6(8)9-10;/h3-4H,1-2H3,(H2,8,9);1H
InChIKeyFPYWFEDPRSVBQH-UHFFFAOYSA-N
XLogP2.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-propan-2-ylpyrazol-3-amine;hydrochloride?
The IUPAC name of 4-chloro-1-propan-2-ylpyrazol-3-amine;hydrochloride (CID 90484325) is 4-chloro-1-propan-2-ylpyrazol-3-amine;hydrochloride.
What is the SMILES notation for 4-chloro-1-propan-2-ylpyrazol-3-amine;hydrochloride?
The canonical SMILES for 4-chloro-1-propan-2-ylpyrazol-3-amine;hydrochloride is CC(C)n1cc(Cl)c(N)n1.Cl.
What is the InChIKey of 4-chloro-1-propan-2-ylpyrazol-3-amine;hydrochloride?
The InChIKey is FPYWFEDPRSVBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3.ClH/c1-4(2)10-3-5(7)6(8)9-10;/h3-4H,1-2H3,(H2,8,9);1H.
What are the key properties of 4-chloro-1-propan-2-ylpyrazol-3-amine;hydrochloride?
4-chloro-1-propan-2-ylpyrazol-3-amine;hydrochloride has a molecular weight of 196.08 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-propan-2-ylpyrazol-3-amine;hydrochloride is sourced from PubChem (CID 90484325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).