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

C7H10F2N4O — CID 114383559

IUPACN-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-carboxamide
SMILESNCC(F)(F)CNC(=O)c1ccn[nH]1
InChIInChI=1S/C7H10F2N4O/c8-7(9,3-10)4-11-6(14)5-1-2-12-13-5/h1-2H,3-4,10H2,(H,11,14)(H,12,13)
InChIKeyKHDPPCOEPXSECU-UHFFFAOYSA-N
MW204.18 g/mol
LogP-0.27
Rot. Bonds4

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

N-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-carboxamide (PubChem CID 114383559) has the molecular formula C7H10F2N4O and a molecular weight of 204.18 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-carboxamide
PubChem CID114383559
Molecular FormulaC7H10F2N4O
Molecular Weight204.18 g/mol
Exact Mass204.08
IUPAC NameN-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-carboxamide
SMILESNCC(F)(F)CNC(=O)c1ccn[nH]1
InChIInChI=1S/C7H10F2N4O/c8-7(9,3-10)4-11-6(14)5-1-2-12-13-5/h1-2H,3-4,10H2,(H,11,14)(H,12,13)
InChIKeyKHDPPCOEPXSECU-UHFFFAOYSA-N
XLogP-0.27
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide
CID 127026695
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
1H-pyrazole-5-carbohydrazide
CID 7147494
1H-Pyrazole-5-carboxamide
CID 15239624
n-Methyl-1h-pyrazole-3-carboxamide
CID 19704574
N-(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 53017380
1H-Pyrazole-3-carboxamide, N-(2-hydroxyethyl)-
CID 2061007
N~3~-isobutyl-1H-pyrazole-3-carboxamide
CID 53017403
N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 71918092
N'-propan-2-yl-1H-pyrazole-5-carbohydrazide
CID 90679861
N-tert-Butyl-1H-pyrazole-5-carboxamide
CID 23279698
Ethane-1,2-diamine, N,N'-bis(3-pyrazolylcarbonyl)-
CID 565685

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-carboxamide (CID 114383559) is N-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-carboxamide is NCC(F)(F)CNC(=O)c1ccn[nH]1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-carboxamide?
The InChIKey is KHDPPCOEPXSECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4O/c8-7(9,3-10)4-11-6(14)5-1-2-12-13-5/h1-2H,3-4,10H2,(H,11,14)(H,12,13).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-carboxamide?
N-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-carboxamide has a molecular weight of 204.18 g/mol, XLogP of -0.27, 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)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 114383559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).