(4-amino-1-methylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C11H16F3N5O — CID 65359335

IUPAC(4-amino-1-methylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESCn1ncc(N)c1C(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H16F3N5O/c1-17-9(8(15)6-16-17)10(20)19-4-2-18(3-5-19)7-11(12,13)14/h6H,2-5,7,15H2,1H3
InChIKeyJCDXWYKWMADJKA-UHFFFAOYSA-N
MW291.28 g/mol
LogP0.32
Rot. Bonds2

About (4-amino-1-methylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

(4-amino-1-methylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 65359335) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is (4-amino-1-methylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1-methylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID65359335
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC Name(4-amino-1-methylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESCn1ncc(N)c1C(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H16F3N5O/c1-17-9(8(15)6-16-17)10(20)19-4-2-18(3-5-19)7-11(12,13)14/h6H,2-5,7,15H2,1H3
InChIKeyJCDXWYKWMADJKA-UHFFFAOYSA-N
XLogP0.32
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-methyl-1H-pyrazole-3-carboxamide
CID 6485351
4-amino-1-methyl-1H-pyrazole-5-carboxamide
CID 6485342
(General Procedure B)
CID 132088163
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,1-dimethyl-1H-pyrazole-3-carboxamide hydrochloride
CID 44630897
3-amino-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one
CID 122673591
4-amino-N-cyclobutyl-1-methyl-1H-pyrazole-3-carboxamide
CID 65354000
4-amino-1-ethyl-1H-pyrazole-3-carboxamide
CID 6485352
4-Amino-2-ethyl-2H-pyrazole-3-carboxylic acid amide
CID 6485417

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-amino-1-methylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 65359335) is (4-amino-1-methylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-amino-1-methylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-amino-1-methylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is Cn1ncc(N)c1C(=O)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of (4-amino-1-methylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is JCDXWYKWMADJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c1-17-9(8(15)6-16-17)10(20)19-4-2-18(3-5-19)7-11(12,13)14/h6H,2-5,7,15H2,1H3.
What are the key properties of (4-amino-1-methylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
(4-amino-1-methylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 291.28 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 65359335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).