2-ethyl-1-methyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrrole-3-carboxamide

C16H22N4O2 — CID 167843966

IUPAC2-ethyl-1-methyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrrole-3-carboxamide
SMILESCCc1c(C(=O)NC[C@H]2CCO[C@@H]2c2cn[nH]c2)ccn1C
InChIInChI=1S/C16H22N4O2/c1-3-14-13(4-6-20(14)2)16(21)17-8-11-5-7-22-15(11)12-9-18-19-10-12/h4,6,9-11,15H,3,5,7-8H2,1-2H3,(H,17,21)(H,18,19)/t11-,15+/m1/s1
InChIKeyMOBWATBLCPHOED-ABAIWWIYSA-N
MW302.38 g/mol
LogP1.82
Rot. Bonds5

About 2-ethyl-1-methyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrrole-3-carboxamide

2-ethyl-1-methyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrrole-3-carboxamide (PubChem CID 167843966) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-ethyl-1-methyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-1-methyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrrole-3-carboxamide
PubChem CID167843966
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-ethyl-1-methyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrrole-3-carboxamide
SMILESCCc1c(C(=O)NC[C@H]2CCO[C@@H]2c2cn[nH]c2)ccn1C
InChIInChI=1S/C16H22N4O2/c1-3-14-13(4-6-20(14)2)16(21)17-8-11-5-7-22-15(11)12-9-18-19-10-12/h4,6,9-11,15H,3,5,7-8H2,1-2H3,(H,17,21)(H,18,19)/t11-,15+/m1/s1
InChIKeyMOBWATBLCPHOED-ABAIWWIYSA-N
XLogP1.82
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyridine-4-carboxamide
CID 154799222
3-bromo-1-methyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrazole-5-carboxamide
CID 154762230
4-cyclopropyl-2-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidine-5-carboxamide
CID 166246892
4,5-dimethyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 154762252
7-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]quinoxaline-6-carboxamide
CID 154801586
3-fluoro-4-methoxy-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]benzamide
CID 154798360
5,7-dimethyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 154762232
5-fluoro-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]-1,3-benzodioxole-4-carboxamide
CID 136586669
4-chloro-1,5-dimethyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyrazole-3-carboxamide
CID 167760808
8-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]indolizine-2-carboxamide
CID 138024151
3-methoxy-4-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]benzamide
CID 154794885
1-cyclobutyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyrazole-4-carboxamide
CID 136586699

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrrole-3-carboxamide?
The IUPAC name of 2-ethyl-1-methyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrrole-3-carboxamide (CID 167843966) is 2-ethyl-1-methyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrrole-3-carboxamide.
What is the SMILES notation for 2-ethyl-1-methyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrrole-3-carboxamide?
The canonical SMILES for 2-ethyl-1-methyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrrole-3-carboxamide is CCc1c(C(=O)NC[C@H]2CCO[C@@H]2c2cn[nH]c2)ccn1C.
What is the InChIKey of 2-ethyl-1-methyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrrole-3-carboxamide?
The InChIKey is MOBWATBLCPHOED-ABAIWWIYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-3-14-13(4-6-20(14)2)16(21)17-8-11-5-7-22-15(11)12-9-18-19-10-12/h4,6,9-11,15H,3,5,7-8H2,1-2H3,(H,17,21)(H,18,19)/t11-,15+/m1/s1.
What are the key properties of 2-ethyl-1-methyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrrole-3-carboxamide?
2-ethyl-1-methyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrrole-3-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrrole-3-carboxamide is sourced from PubChem (CID 167843966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).