[5-(1,1-difluoroethyl)-1H-pyrazol-4-yl]methanamine;hydrochloride

C6H10ClF2N3 — CID 155973658

IUPAC[5-(1,1-difluoroethyl)-1H-pyrazol-4-yl]methanamine;hydrochloride
SMILESCC(F)(F)c1[nH]ncc1CN.Cl
InChIInChI=1S/C6H9F2N3.ClH/c1-6(7,8)5-4(2-9)3-10-11-5;/h3H,2,9H2,1H3,(H,10,11);1H
InChIKeyXWTPFEBQNMBZHI-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.40
Rot. Bonds2

About [5-(1,1-difluoroethyl)-1H-pyrazol-4-yl]methanamine;hydrochloride

[5-(1,1-difluoroethyl)-1H-pyrazol-4-yl]methanamine;hydrochloride (PubChem CID 155973658) has the molecular formula C6H10ClF2N3 and a molecular weight of 197.62 g/mol. Its IUPAC name is [5-(1,1-difluoroethyl)-1H-pyrazol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(1,1-difluoroethyl)-1H-pyrazol-4-yl]methanamine;hydrochloride
PubChem CID155973658
Molecular FormulaC6H10ClF2N3
Molecular Weight197.62 g/mol
Exact Mass197.05
IUPAC Name[5-(1,1-difluoroethyl)-1H-pyrazol-4-yl]methanamine;hydrochloride
SMILESCC(F)(F)c1[nH]ncc1CN.Cl
InChIInChI=1S/C6H9F2N3.ClH/c1-6(7,8)5-4(2-9)3-10-11-5;/h3H,2,9H2,1H3,(H,10,11);1H
InChIKeyXWTPFEBQNMBZHI-UHFFFAOYSA-N
XLogP1.40
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[5-[2-(4-fluorophenyl)propan-2-yl]-1H-pyrazol-4-yl]methanamine
CID 79487514
oxalic acid;[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine
CID 118993591
N-[4-(aminomethyl)-1H-pyrazol-5-yl]-2-methylpropane-2-sulfonamide
CID 79503158
3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
CID 2763521
4-benzyl-5-(trifluoromethyl)-1H-pyrazole
CID 121219370
1-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-tert-butylurea
CID 79503933
3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid
CID 22420286
4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-5-sulfonamide
CID 114142090
4-[2-(4-methylsulfanylphenyl)ethyl]-5-(trifluoromethyl)-1H-pyrazole
CID 173079209
1,1-bis(4-benzyl-1H-pyrazol-5-yl)ethane-1,2-diamine
CID 68666578
5-(trifluoromethyl)-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole
CID 168735209
4-(aminomethyl)-5-chloro-1H-pyridazin-6-one
CID 84650975

Frequently Asked Questions

What is the IUPAC name of [5-(1,1-difluoroethyl)-1H-pyrazol-4-yl]methanamine;hydrochloride?
The IUPAC name of [5-(1,1-difluoroethyl)-1H-pyrazol-4-yl]methanamine;hydrochloride (CID 155973658) is [5-(1,1-difluoroethyl)-1H-pyrazol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-(1,1-difluoroethyl)-1H-pyrazol-4-yl]methanamine;hydrochloride?
The canonical SMILES for [5-(1,1-difluoroethyl)-1H-pyrazol-4-yl]methanamine;hydrochloride is CC(F)(F)c1[nH]ncc1CN.Cl.
What is the InChIKey of [5-(1,1-difluoroethyl)-1H-pyrazol-4-yl]methanamine;hydrochloride?
The InChIKey is XWTPFEBQNMBZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3.ClH/c1-6(7,8)5-4(2-9)3-10-11-5;/h3H,2,9H2,1H3,(H,10,11);1H.
What are the key properties of [5-(1,1-difluoroethyl)-1H-pyrazol-4-yl]methanamine;hydrochloride?
[5-(1,1-difluoroethyl)-1H-pyrazol-4-yl]methanamine;hydrochloride has a molecular weight of 197.62 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,1-difluoroethyl)-1H-pyrazol-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 155973658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).