(3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C11H16F3N5O — CID 62971795

IUPAC(3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESCc1[nH]nc(N)c1C(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H16F3N5O/c1-7-8(9(15)17-16-7)10(20)19-4-2-18(3-5-19)6-11(12,13)14/h2-6H2,1H3,(H3,15,16,17)
InChIKeyMDPFMOYEDQQHHW-UHFFFAOYSA-N
MW291.28 g/mol
LogP0.62
Rot. Bonds2

About (3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

(3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 62971795) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is (3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID62971795
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC Name(3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESCc1[nH]nc(N)c1C(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H16F3N5O/c1-7-8(9(15)17-16-7)10(20)19-4-2-18(3-5-19)6-11(12,13)14/h2-6H2,1H3,(H3,15,16,17)
InChIKeyMDPFMOYEDQQHHW-UHFFFAOYSA-N
XLogP0.62
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of (3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 62971795) is (3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is Cc1[nH]nc(N)c1C(=O)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of (3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is MDPFMOYEDQQHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c1-7-8(9(15)17-16-7)10(20)19-4-2-18(3-5-19)6-11(12,13)14/h2-6H2,1H3,(H3,15,16,17).
What are the key properties of (3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
(3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 291.28 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 62971795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).