1-(difluoromethyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]pyrazol-3-amine;hydrochloride

C10H14ClF2N5 — CID 126964188

IUPAC1-(difluoromethyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]pyrazol-3-amine;hydrochloride
SMILESCc1cnn(C)c1CNc1ccn(C(F)F)n1.Cl
InChIInChI=1S/C10H13F2N5.ClH/c1-7-5-14-16(2)8(7)6-13-9-3-4-17(15-9)10(11)12;/h3-5,10H,6H2,1-2H3,(H,13,15);1H
InChIKeyJDPHPKIHWBAJOL-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.35
Rot. Bonds4

About 1-(difluoromethyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]pyrazol-3-amine;hydrochloride

1-(difluoromethyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]pyrazol-3-amine;hydrochloride (PubChem CID 126964188) has the molecular formula C10H14ClF2N5 and a molecular weight of 277.71 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]pyrazol-3-amine;hydrochloride
PubChem CID126964188
Molecular FormulaC10H14ClF2N5
Molecular Weight277.71 g/mol
Exact Mass277.09
IUPAC Name1-(difluoromethyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]pyrazol-3-amine;hydrochloride
SMILESCc1cnn(C)c1CNc1ccn(C(F)F)n1.Cl
InChIInChI=1S/C10H13F2N5.ClH/c1-7-5-14-16(2)8(7)6-13-9-3-4-17(15-9)10(11)12;/h3-5,10H,6H2,1-2H3,(H,13,15);1H
InChIKeyJDPHPKIHWBAJOL-UHFFFAOYSA-N
XLogP2.35
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(difluoromethyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 122166773
1-(difluoromethyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride
CID 126964934
N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride
CID 126967623
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1,5-dimethylpyrazol-3-amine
CID 122166863
1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine;hydrochloride
CID 126967496
1-(difluoromethyl)-N-[(2,3-difluorophenyl)methyl]pyrazol-3-amine;hydrochloride
CID 126966418
1-(difluoromethyl)-N-(furan-2-ylmethyl)pyrazol-3-amine
CID 122168918
1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 122167539
1-(difluoromethyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 122167634
1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]methanamine
CID 122167116
1-[(2S)-butan-2-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 124932352
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride
CID 126966683

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]pyrazol-3-amine;hydrochloride?
The IUPAC name of 1-(difluoromethyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]pyrazol-3-amine;hydrochloride (CID 126964188) is 1-(difluoromethyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 1-(difluoromethyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]pyrazol-3-amine;hydrochloride?
The canonical SMILES for 1-(difluoromethyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]pyrazol-3-amine;hydrochloride is Cc1cnn(C)c1CNc1ccn(C(F)F)n1.Cl.
What is the InChIKey of 1-(difluoromethyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]pyrazol-3-amine;hydrochloride?
The InChIKey is JDPHPKIHWBAJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N5.ClH/c1-7-5-14-16(2)8(7)6-13-9-3-4-17(15-9)10(11)12;/h3-5,10H,6H2,1-2H3,(H,13,15);1H.
What are the key properties of 1-(difluoromethyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]pyrazol-3-amine;hydrochloride?
1-(difluoromethyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]pyrazol-3-amine;hydrochloride has a molecular weight of 277.71 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 126964188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).