1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine;hydrochloride

C12H18ClF2N5 — CID 126967496

IUPAC1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine;hydrochloride
SMILESCc1nn(C(C)C)cc1CNc1ccn(C(F)F)n1.Cl
InChIInChI=1S/C12H17F2N5.ClH/c1-8(2)19-7-10(9(3)16-19)6-15-11-4-5-18(17-11)12(13)14;/h4-5,7-8,12H,6H2,1-3H3,(H,15,17);1H
InChIKeyHGYXYXGYLQEGLE-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.40
Rot. Bonds5

About 1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine;hydrochloride

1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine;hydrochloride (PubChem CID 126967496) has the molecular formula C12H18ClF2N5 and a molecular weight of 305.76 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine;hydrochloride
PubChem CID126967496
Molecular FormulaC12H18ClF2N5
Molecular Weight305.76 g/mol
Exact Mass305.12
IUPAC Name1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine;hydrochloride
SMILESCc1nn(C(C)C)cc1CNc1ccn(C(F)F)n1.Cl
InChIInChI=1S/C12H17F2N5.ClH/c1-8(2)19-7-10(9(3)16-19)6-15-11-4-5-18(17-11)12(13)14;/h4-5,7-8,12H,6H2,1-3H3,(H,15,17);1H
InChIKeyHGYXYXGYLQEGLE-UHFFFAOYSA-N
XLogP3.40
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine;hydrochloride?
The IUPAC name of 1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine;hydrochloride (CID 126967496) is 1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine;hydrochloride?
The canonical SMILES for 1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine;hydrochloride is Cc1nn(C(C)C)cc1CNc1ccn(C(F)F)n1.Cl.
What is the InChIKey of 1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine;hydrochloride?
The InChIKey is HGYXYXGYLQEGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N5.ClH/c1-8(2)19-7-10(9(3)16-19)6-15-11-4-5-18(17-11)12(13)14;/h4-5,7-8,12H,6H2,1-3H3,(H,15,17);1H.
What are the key properties of 1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine;hydrochloride?
1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine;hydrochloride has a molecular weight of 305.76 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 126967496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).