1,5-dimethyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]pyrazole-4-carboxamide

C14H23N3O3 — CID 94179237

IUPAC1,5-dimethyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCCOC[C@H]2CCCO2)cnn1C
InChIInChI=1S/C14H23N3O3/c1-11-13(9-16-17(11)2)14(18)15-6-4-7-19-10-12-5-3-8-20-12/h9,12H,3-8,10H2,1-2H3,(H,15,18)/t12-/m1/s1
InChIKeyKTOCZDCPNUUIFO-GFCCVEGCSA-N
MW281.36 g/mol
LogP1.04
Rot. Bonds7

About 1,5-dimethyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]pyrazole-4-carboxamide

1,5-dimethyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]pyrazole-4-carboxamide (PubChem CID 94179237) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1,5-dimethyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]pyrazole-4-carboxamide
PubChem CID94179237
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1,5-dimethyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCCOC[C@H]2CCCO2)cnn1C
InChIInChI=1S/C14H23N3O3/c1-11-13(9-16-17(11)2)14(18)15-6-4-7-19-10-12-5-3-8-20-12/h9,12H,3-8,10H2,1-2H3,(H,15,18)/t12-/m1/s1
InChIKeyKTOCZDCPNUUIFO-GFCCVEGCSA-N
XLogP1.04
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-hydroxyethoxy)propyl]-1,5-dimethylpyrazole-4-carboxamide
CID 113364754
4-chloro-6-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyridine-3-carboxamide
CID 81227781
1-benzyl-5-ethyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide
CID 78872899
1,5-dimethyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazole-4-carboxamide
CID 94817888
2-bromo-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 103854604
3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000506
2-fluoro-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 79791073
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61378454
3,5-dimethyl-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-4-carboxamide
CID 97001915
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride
CID 119943995
6-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazine-2-carboxamide
CID 103186875

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]pyrazole-4-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]pyrazole-4-carboxamide (CID 94179237) is 1,5-dimethyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]pyrazole-4-carboxamide is Cc1c(C(=O)NCCCOC[C@H]2CCCO2)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]pyrazole-4-carboxamide?
The InChIKey is KTOCZDCPNUUIFO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-11-13(9-16-17(11)2)14(18)15-6-4-7-19-10-12-5-3-8-20-12/h9,12H,3-8,10H2,1-2H3,(H,15,18)/t12-/m1/s1.
What are the key properties of 1,5-dimethyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]pyrazole-4-carboxamide?
1,5-dimethyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]pyrazole-4-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 94179237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).