N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C16H23N5O2 — CID 128986192

IUPACN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cc(C(C)C)[nH]n1
InChIInChI=1S/C16H23N5O2/c1-4-21-7-6-17-15(21)14-11(5-8-23-14)18-16(22)13-9-12(10(2)3)19-20-13/h6-7,9-11,14H,4-5,8H2,1-3H3,(H,18,22)(H,19,20)/t11-,14-/m0/s1
InChIKeyRVLSPBHSBIBGMX-FZMZJTMJSA-N
MW317.39 g/mol
LogP2.01
Rot. Bonds5

About N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 128986192) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID128986192
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cc(C(C)C)[nH]n1
InChIInChI=1S/C16H23N5O2/c1-4-21-7-6-17-15(21)14-11(5-8-23-14)18-16(22)13-9-12(10(2)3)19-20-13/h6-7,9-11,14H,4-5,8H2,1-3H3,(H,18,22)(H,19,20)/t11-,14-/m0/s1
InChIKeyRVLSPBHSBIBGMX-FZMZJTMJSA-N
XLogP2.01
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 128986192) is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cc(C(C)C)[nH]n1.
What is the InChIKey of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is RVLSPBHSBIBGMX-FZMZJTMJSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-4-21-7-6-17-15(21)14-11(5-8-23-14)18-16(22)13-9-12(10(2)3)19-20-13/h6-7,9-11,14H,4-5,8H2,1-3H3,(H,18,22)(H,19,20)/t11-,14-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 128986192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).