N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide

C19H19F3N6O2 — CID 129032603

IUPACN-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cocn2)CC1)c1ccn[nH]1
InChIInChI=1S/C19H19F3N6O2/c20-19(21,22)13-1-2-17(16(9-13)25-18(29)15-3-4-24-26-15)28-7-5-27(6-8-28)10-14-11-30-12-23-14/h1-4,9,11-12H,5-8,10H2,(H,24,26)(H,25,29)
InChIKeyJYIRFZDDTMFCLA-UHFFFAOYSA-N
MW420.40 g/mol
LogP2.99
Rot. Bonds5

About N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide

N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 129032603) has the molecular formula C19H19F3N6O2 and a molecular weight of 420.40 g/mol. Its IUPAC name is N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID129032603
Molecular FormulaC19H19F3N6O2
Molecular Weight420.40 g/mol
Exact Mass420.15
IUPAC NameN-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cocn2)CC1)c1ccn[nH]1
InChIInChI=1S/C19H19F3N6O2/c20-19(21,22)13-1-2-17(16(9-13)25-18(29)15-3-4-24-26-15)28-7-5-27(6-8-28)10-14-11-30-12-23-14/h1-4,9,11-12H,5-8,10H2,(H,24,26)(H,25,29)
InChIKeyJYIRFZDDTMFCLA-UHFFFAOYSA-N
XLogP2.99
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide (CID 129032603) is N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cocn2)CC1)c1ccn[nH]1.
What is the InChIKey of N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is JYIRFZDDTMFCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O2/c20-19(21,22)13-1-2-17(16(9-13)25-18(29)15-3-4-24-26-15)28-7-5-27(6-8-28)10-14-11-30-12-23-14/h1-4,9,11-12H,5-8,10H2,(H,24,26)(H,25,29).
What are the key properties of N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 420.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 129032603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).