N-(3-amino-2,2-difluoropropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

C9H14F2N4O — CID 114383744

IUPACN-(3-amino-2,2-difluoropropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCC(F)(F)CN
InChIInChI=1S/C9H14F2N4O/c1-5-7(6(2)15-14-5)8(16)13-4-9(10,11)3-12/h3-4,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyBLYDUXRKRUPOLW-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.35
Rot. Bonds4

About N-(3-amino-2,2-difluoropropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-(3-amino-2,2-difluoropropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 114383744) has the molecular formula C9H14F2N4O and a molecular weight of 232.23 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID114383744
Molecular FormulaC9H14F2N4O
Molecular Weight232.23 g/mol
Exact Mass232.11
IUPAC NameN-(3-amino-2,2-difluoropropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCC(F)(F)CN
InChIInChI=1S/C9H14F2N4O/c1-5-7(6(2)15-14-5)8(16)13-4-9(10,11)3-12/h3-4,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyBLYDUXRKRUPOLW-UHFFFAOYSA-N
XLogP0.35
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 114383744) is N-(3-amino-2,2-difluoropropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NCC(F)(F)CN.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is BLYDUXRKRUPOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O/c1-5-7(6(2)15-14-5)8(16)13-4-9(10,11)3-12/h3-4,12H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(3-amino-2,2-difluoropropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 232.23 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 114383744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).