4-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-5-carboxamide

C7H10F2N4O2 — CID 106164274

IUPAC4-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)NCC(F)(F)CO
InChIInChI=1S/C7H10F2N4O2/c8-7(9,3-14)2-11-6(15)5-4(10)1-12-13-5/h1,14H,2-3,10H2,(H,11,15)(H,12,13)
InChIKeyIYZNTUQETPEOOF-UHFFFAOYSA-N
MW220.18 g/mol
LogP-0.65
Rot. Bonds4

About 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-5-carboxamide

4-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-5-carboxamide (PubChem CID 106164274) has the molecular formula C7H10F2N4O2 and a molecular weight of 220.18 g/mol. Its IUPAC name is 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-5-carboxamide
PubChem CID106164274
Molecular FormulaC7H10F2N4O2
Molecular Weight220.18 g/mol
Exact Mass220.08
IUPAC Name4-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)NCC(F)(F)CO
InChIInChI=1S/C7H10F2N4O2/c8-7(9,3-14)2-11-6(15)5-4(10)1-12-13-5/h1,14H,2-3,10H2,(H,11,15)(H,12,13)
InChIKeyIYZNTUQETPEOOF-UHFFFAOYSA-N
XLogP-0.65
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-cyclopropyl-1H-pyrazole-3-carboxamide
CID 63107017
4-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxamide
CID 70116647
N-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-4-(1-hydroxypropan-2-ylamino)-1H-pyrazole-5-carboxamide
CID 142994999
N-(4-fluorocyclohexa-1,5-dien-1-yl)-4-(3-hydroxypropanoylamino)-1H-pyrazole-5-carboxamide
CID 148855040
(4-amino-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 55177060
4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-5-carboxamide
CID 55261446
4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 63101795
methyl 3-[(4-amino-1H-pyrazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 63102142
4-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 63102315
4-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 63102316
4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 63103231
4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 63103232

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-5-carboxamide (CID 106164274) is 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-5-carboxamide is Nc1cn[nH]c1C(=O)NCC(F)(F)CO.
What is the InChIKey of 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-5-carboxamide?
The InChIKey is IYZNTUQETPEOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4O2/c8-7(9,3-14)2-11-6(15)5-4(10)1-12-13-5/h1,14H,2-3,10H2,(H,11,15)(H,12,13).
What are the key properties of 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-5-carboxamide?
4-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-5-carboxamide has a molecular weight of 220.18 g/mol, XLogP of -0.65, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 106164274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).