4-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxamide

C8H11F3N4O2 — CID 70116647

IUPAC4-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C8H11F3N4O2/c1-15-6(4(12)2-14-15)7(17)13-3-5(16)8(9,10)11/h2,5,16H,3,12H2,1H3,(H,13,17)
InChIKeyROEHQDNZCZLCBU-UHFFFAOYSA-N
MW252.20 g/mol
LogP-0.34
Rot. Bonds3

About 4-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxamide

4-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxamide (PubChem CID 70116647) has the molecular formula C8H11F3N4O2 and a molecular weight of 252.20 g/mol. Its IUPAC name is 4-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxamide
PubChem CID70116647
Molecular FormulaC8H11F3N4O2
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC Name4-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C8H11F3N4O2/c1-15-6(4(12)2-14-15)7(17)13-3-5(16)8(9,10)11/h2,5,16H,3,12H2,1H3,(H,13,17)
InChIKeyROEHQDNZCZLCBU-UHFFFAOYSA-N
XLogP-0.34
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N,1-dimethyl-1H-pyrazole-5-carboxamide
CID 6485370
4-(3-butylureido)-1-ethyl-1H-pyrazole-5-carboxamide
CID 661464
(4-Amino-2-methyl-2H-pyrazol-3-yl)-morpholin-4-yl-methanone
CID 739809
4-amino-N,1-diethyl-1H-pyrazole-5-carboxamide
CID 19620408
4-amino-N-cyclobutyl-1-methyl-1H-pyrazole-3-carboxamide
CID 65354000
4-Amino-2-ethyl-2H-pyrazole-3-carboxylic acid amide
CID 6485417
4-amino-N-(1-hydroxypropan-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 65355215
4-amino-1-(2,2-difluoroethyl)-1H-pyrazole-3-carboxamide
CID 107345100
4-amino-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
CID 26871321
4-amino-N-(cyclopropylmethyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 65354648
4-({[1-(difluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)-1-methyl-1H-pyrazole-5-carboxamide
CID 4767849
4-amino-N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 7017548

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxamide (CID 70116647) is 4-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxamide is Cn1ncc(N)c1C(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 4-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxamide?
The InChIKey is ROEHQDNZCZLCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2/c1-15-6(4(12)2-14-15)7(17)13-3-5(16)8(9,10)11/h2,5,16H,3,12H2,1H3,(H,13,17).
What are the key properties of 4-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxamide?
4-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxamide has a molecular weight of 252.20 g/mol, XLogP of -0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 70116647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).