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

C6H10ClN3 — CID 19619842

IUPAC4-chloro-1-propan-2-ylpyrazol-3-amine
SMILESCC(C)n1cc(Cl)c(N)n1
InChIInChI=1S/C6H10ClN3/c1-4(2)10-3-5(7)6(8)9-10/h3-4H,1-2H3,(H2,8,9)
InChIKeyUDMUABAUCMUCDL-UHFFFAOYSA-N
MW159.62 g/mol
LogP1.70
Rot. Bonds1

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

4-chloro-1-propan-2-ylpyrazol-3-amine (PubChem CID 19619842) has the molecular formula C6H10ClN3 and a molecular weight of 159.62 g/mol. Its IUPAC name is 4-chloro-1-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-propan-2-ylpyrazol-3-amine
PubChem CID19619842
Molecular FormulaC6H10ClN3
Molecular Weight159.62 g/mol
Exact Mass159.06
IUPAC Name4-chloro-1-propan-2-ylpyrazol-3-amine
SMILESCC(C)n1cc(Cl)c(N)n1
InChIInChI=1S/C6H10ClN3/c1-4(2)10-3-5(7)6(8)9-10/h3-4H,1-2H3,(H2,8,9)
InChIKeyUDMUABAUCMUCDL-UHFFFAOYSA-N
XLogP1.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-1-(propan-2-yl)-1H-pyrazole-4-carbonitrile
CID 276228
1-(propan-2-yl)-1H-pyrazol-3-amine
CID 19576797
4-bromo-1-ethyl-1H-pyrazol-3-amine
CID 19619846
4-Chloro-1-methyl-1H-pyrazol-3-amine
CID 19616928
4-Chloro-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 19619545
4-Iodo-1-methyl-1H-pyrazol-3-amine
CID 19802986
4-methyl-1-(propan-2-yl)-1H-pyrazol-3-amine
CID 45602180
1,4-dimethyl-1H-pyrazol-3-amine hydrochloride
CID 69704255
1,4-Dimethyl-1H-pyrazol-3-amine
CID 12847949
4-methyl-1-propyl-1H-pyrazol-3-amine
CID 45602181
4-iodo-1-(propan-2-yl)-1H-pyrazol-5-amine
CID 25324162
1-Ethyl-4-iodo-1H-pyrazol-3-amine
CID 60136780

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-propan-2-ylpyrazol-3-amine?
The IUPAC name of 4-chloro-1-propan-2-ylpyrazol-3-amine (CID 19619842) is 4-chloro-1-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-propan-2-ylpyrazol-3-amine?
The canonical SMILES for 4-chloro-1-propan-2-ylpyrazol-3-amine is CC(C)n1cc(Cl)c(N)n1.
What is the InChIKey of 4-chloro-1-propan-2-ylpyrazol-3-amine?
The InChIKey is UDMUABAUCMUCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3/c1-4(2)10-3-5(7)6(8)9-10/h3-4H,1-2H3,(H2,8,9).
What are the key properties of 4-chloro-1-propan-2-ylpyrazol-3-amine?
4-chloro-1-propan-2-ylpyrazol-3-amine has a molecular weight of 159.62 g/mol, XLogP of 1.70, 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 is sourced from PubChem (CID 19619842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).