N-[(3S)-oxolan-3-yl]-N,2-di(propan-2-yl)pyrazole-3-carboxamide

C14H23N3O2 — CID 164643271

IUPACN-[(3S)-oxolan-3-yl]-N,2-di(propan-2-yl)pyrazole-3-carboxamide
SMILESCC(C)N(C(=O)c1ccnn1C(C)C)[C@H]1CCOC1
InChIInChI=1S/C14H23N3O2/c1-10(2)16(12-6-8-19-9-12)14(18)13-5-7-15-17(13)11(3)4/h5,7,10-12H,6,8-9H2,1-4H3/t12-/m0/s1
InChIKeyMRHIOLVOUBGWGB-LBPRGKRZSA-N
MW265.36 g/mol
LogP2.10
Rot. Bonds4

About N-[(3S)-oxolan-3-yl]-N,2-di(propan-2-yl)pyrazole-3-carboxamide

N-[(3S)-oxolan-3-yl]-N,2-di(propan-2-yl)pyrazole-3-carboxamide (PubChem CID 164643271) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(3S)-oxolan-3-yl]-N,2-di(propan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-oxolan-3-yl]-N,2-di(propan-2-yl)pyrazole-3-carboxamide
PubChem CID164643271
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[(3S)-oxolan-3-yl]-N,2-di(propan-2-yl)pyrazole-3-carboxamide
SMILESCC(C)N(C(=O)c1ccnn1C(C)C)[C@H]1CCOC1
InChIInChI=1S/C14H23N3O2/c1-10(2)16(12-6-8-19-9-12)14(18)13-5-7-15-17(13)11(3)4/h5,7,10-12H,6,8-9H2,1-4H3/t12-/m0/s1
InChIKeyMRHIOLVOUBGWGB-LBPRGKRZSA-N
XLogP2.10
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-oxolan-3-yl]-N,2-di(propan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of N-[(3S)-oxolan-3-yl]-N,2-di(propan-2-yl)pyrazole-3-carboxamide (CID 164643271) is N-[(3S)-oxolan-3-yl]-N,2-di(propan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3S)-oxolan-3-yl]-N,2-di(propan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(3S)-oxolan-3-yl]-N,2-di(propan-2-yl)pyrazole-3-carboxamide is CC(C)N(C(=O)c1ccnn1C(C)C)[C@H]1CCOC1.
What is the InChIKey of N-[(3S)-oxolan-3-yl]-N,2-di(propan-2-yl)pyrazole-3-carboxamide?
The InChIKey is MRHIOLVOUBGWGB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)16(12-6-8-19-9-12)14(18)13-5-7-15-17(13)11(3)4/h5,7,10-12H,6,8-9H2,1-4H3/t12-/m0/s1.
What are the key properties of N-[(3S)-oxolan-3-yl]-N,2-di(propan-2-yl)pyrazole-3-carboxamide?
N-[(3S)-oxolan-3-yl]-N,2-di(propan-2-yl)pyrazole-3-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-oxolan-3-yl]-N,2-di(propan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 164643271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).