1-ethyl-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyrazole-4-carboxamide

C16H18N6O — CID 97060214

IUPAC1-ethyl-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)cn1
InChIInChI=1S/C16H18N6O/c1-3-21-11-14(10-18-21)16(23)19-12(2)13-4-6-15(7-5-13)22-9-8-17-20-22/h4-12H,3H2,1-2H3,(H,19,23)/t12-/m0/s1
InChIKeyVOFJRIQYULXOOF-LBPRGKRZSA-N
MW310.36 g/mol
LogP1.97
Rot. Bonds5

About 1-ethyl-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyrazole-4-carboxamide

1-ethyl-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyrazole-4-carboxamide (PubChem CID 97060214) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-ethyl-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyrazole-4-carboxamide
PubChem CID97060214
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name1-ethyl-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)cn1
InChIInChI=1S/C16H18N6O/c1-3-21-11-14(10-18-21)16(23)19-12(2)13-4-6-15(7-5-13)22-9-8-17-20-22/h4-12H,3H2,1-2H3,(H,19,23)/t12-/m0/s1
InChIKeyVOFJRIQYULXOOF-LBPRGKRZSA-N
XLogP1.97
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide
CID 97244375
1-ethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 19281043
(2R)-2-amino-N-[1-[4-(triazol-1-yl)phenyl]ethyl]propanamide
CID 120873593
3-chloro-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide
CID 97244358
6-methyl-2-oxo-N-[1-[4-(triazol-1-yl)phenyl]ethyl]-1H-pyridine-3-carboxamide
CID 71909355
6-methyl-2-oxo-N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]-1H-pyridine-3-carboxamide
CID 97069718
4-methyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide
CID 75390249
1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 27660239
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide
CID 25343900
1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea
CID 47200410
1-methyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 19474638
2-(4-ethoxyphenyl)sulfanyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]acetamide
CID 71909350

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyrazole-4-carboxamide (CID 97060214) is 1-ethyl-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyrazole-4-carboxamide is CCn1cc(C(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)cn1.
What is the InChIKey of 1-ethyl-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyrazole-4-carboxamide?
The InChIKey is VOFJRIQYULXOOF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N6O/c1-3-21-11-14(10-18-21)16(23)19-12(2)13-4-6-15(7-5-13)22-9-8-17-20-22/h4-12H,3H2,1-2H3,(H,19,23)/t12-/m0/s1.
What are the key properties of 1-ethyl-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyrazole-4-carboxamide?
1-ethyl-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyrazole-4-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 97060214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).