4-chloro-1-(difluoromethyl)pyrazol-5-amine;hydrochloride

C4H5Cl2F2N3 — CID 163336292

IUPAC4-chloro-1-(difluoromethyl)pyrazol-5-amine;hydrochloride
SMILESCl.Nc1c(Cl)cnn1C(F)F
InChIInChI=1S/C4H4ClF2N3.ClH/c5-2-1-9-10(3(2)8)4(6)7;/h1,4H,8H2;1H
InChIKeyUVONJDUESRVEAI-UHFFFAOYSA-N
MW204.01 g/mol
LogP1.94
Rot. Bonds1

About 4-chloro-1-(difluoromethyl)pyrazol-5-amine;hydrochloride

4-chloro-1-(difluoromethyl)pyrazol-5-amine;hydrochloride (PubChem CID 163336292) has the molecular formula C4H5Cl2F2N3 and a molecular weight of 204.01 g/mol. Its IUPAC name is 4-chloro-1-(difluoromethyl)pyrazol-5-amine;hydrochloride.

Molecular Properties

Compound Name4-chloro-1-(difluoromethyl)pyrazol-5-amine;hydrochloride
PubChem CID163336292
Molecular FormulaC4H5Cl2F2N3
Molecular Weight204.01 g/mol
Exact Mass202.98
IUPAC Name4-chloro-1-(difluoromethyl)pyrazol-5-amine;hydrochloride
SMILESCl.Nc1c(Cl)cnn1C(F)F
InChIInChI=1S/C4H4ClF2N3.ClH/c5-2-1-9-10(3(2)8)4(6)7;/h1,4H,8H2;1H
InChIKeyUVONJDUESRVEAI-UHFFFAOYSA-N
XLogP1.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.01
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(difluoromethyl)-5-methylpyrazol-4-amine;hydrochloride
CID 90482906
4-chloropyrazole-1,5-diamine
CID 19694980
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CID 154123352
4-chloro-1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-5-amine
CID 113328791
(4-chloro-1-propan-2-ylpyrazol-5-yl)methylhydrazine
CID 105220837
1-(difluoromethyl)-4-methylindazol-6-amine
CID 90308990
5-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-amine
CID 175533893
4-(5-amino-4-chloropyrazol-1-yl)phenol
CID 112711594
1-(difluoromethyl)pyrazolo[5,4-b]pyridine
CID 154233726
(2S)-2-(4-chloro-5-methylpyrazol-1-yl)propan-1-amine
CID 42576142
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-difluoroethanamine
CID 115034214
1-(difluoromethyl)-5-pyridin-3-ylpyrazol-4-amine
CID 175861408

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(difluoromethyl)pyrazol-5-amine;hydrochloride?
The IUPAC name of 4-chloro-1-(difluoromethyl)pyrazol-5-amine;hydrochloride (CID 163336292) is 4-chloro-1-(difluoromethyl)pyrazol-5-amine;hydrochloride.
What is the SMILES notation for 4-chloro-1-(difluoromethyl)pyrazol-5-amine;hydrochloride?
The canonical SMILES for 4-chloro-1-(difluoromethyl)pyrazol-5-amine;hydrochloride is Cl.Nc1c(Cl)cnn1C(F)F.
What is the InChIKey of 4-chloro-1-(difluoromethyl)pyrazol-5-amine;hydrochloride?
The InChIKey is UVONJDUESRVEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClF2N3.ClH/c5-2-1-9-10(3(2)8)4(6)7;/h1,4H,8H2;1H.
What are the key properties of 4-chloro-1-(difluoromethyl)pyrazol-5-amine;hydrochloride?
4-chloro-1-(difluoromethyl)pyrazol-5-amine;hydrochloride has a molecular weight of 204.01 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(difluoromethyl)pyrazol-5-amine;hydrochloride is sourced from PubChem (CID 163336292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).