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

C16H23N5O2 — CID 128986161

IUPACN-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)n[nH]1
InChIInChI=1S/C16H23N5O2/c1-10(2)8-11-9-13(20-19-11)16(22)18-12-4-7-23-14(12)15-17-5-6-21(15)3/h5-6,9-10,12,14H,4,7-8H2,1-3H3,(H,18,22)(H,19,20)/t12-,14-/m0/s1
InChIKeyMQUIMABBDIXPSE-JSGCOSHPSA-N
MW317.39 g/mol
LogP1.60
Rot. Bonds5

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

N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 128986161) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID128986161
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)n[nH]1
InChIInChI=1S/C16H23N5O2/c1-10(2)8-11-9-13(20-19-11)16(22)18-12-4-7-23-14(12)15-17-5-6-21(15)3/h5-6,9-10,12,14H,4,7-8H2,1-3H3,(H,18,22)(H,19,20)/t12-,14-/m0/s1
InChIKeyMQUIMABBDIXPSE-JSGCOSHPSA-N
XLogP1.60
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 ≤ 51.60
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-methylimidazol-2-yl)oxolan-3-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (CID 128986161) is N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is CC(C)Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)n[nH]1.
What is the InChIKey of N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is MQUIMABBDIXPSE-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-10(2)8-11-9-13(20-19-11)16(22)18-12-4-7-23-14(12)15-17-5-6-21(15)3/h5-6,9-10,12,14H,4,7-8H2,1-3H3,(H,18,22)(H,19,20)/t12-,14-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.60, 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-methylimidazol-2-yl)oxolan-3-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 128986161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).