N-(3-amino-3-oxopropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C11H15F3N4O2 — CID 56706886

IUPACN-(3-amino-3-oxopropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)N(CCC(N)=O)C(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C11H15F3N4O2/c1-6(2)18(4-3-9(15)19)10(20)7-5-8(17-16-7)11(12,13)14/h5-6H,3-4H2,1-2H3,(H2,15,19)(H,16,17)
InChIKeyWVPNWLAJCCBSFN-UHFFFAOYSA-N
MW292.26 g/mol
LogP1.15
Rot. Bonds5

About N-(3-amino-3-oxopropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-(3-amino-3-oxopropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 56706886) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID56706886
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC NameN-(3-amino-3-oxopropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)N(CCC(N)=O)C(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C11H15F3N4O2/c1-6(2)18(4-3-9(15)19)10(20)7-5-8(17-16-7)11(12,13)14/h5-6H,3-4H2,1-2H3,(H2,15,19)(H,16,17)
InChIKeyWVPNWLAJCCBSFN-UHFFFAOYSA-N
XLogP1.15
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 56706886) is N-(3-amino-3-oxopropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is CC(C)N(CCC(N)=O)C(=O)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is WVPNWLAJCCBSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-6(2)18(4-3-9(15)19)10(20)7-5-8(17-16-7)11(12,13)14/h5-6H,3-4H2,1-2H3,(H2,15,19)(H,16,17).
What are the key properties of N-(3-amino-3-oxopropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-(3-amino-3-oxopropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 292.26 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56706886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).