ethane;ethanol;N-ethylethanamine;4-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide

C18H38N4O3 — CID 143797168

IUPACethane;ethanol;N-ethylethanamine;4-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide
SMILESCC.CCNCC.CCO.Cc1cn[nH]c1C(=O)NC1CCOCC1
InChIInChI=1S/C10H15N3O2.C4H11N.C2H6O.C2H6/c1-7-6-11-13-9(7)10(14)12-8-2-4-15-5-3-8;1-3-5-4-2;1-2-3;1-2/h6,8H,2-5H2,1H3,(H,11,13)(H,12,14);5H,3-4H2,1-2H3;3H,2H2,1H3;1-2H3
InChIKeyVDMZHJKZZKFVCF-UHFFFAOYSA-N
MW358.53 g/mol
LogP2.27
Rot. Bonds4

About ethane;ethanol;N-ethylethanamine;4-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide

ethane;ethanol;N-ethylethanamine;4-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 143797168) has the molecular formula C18H38N4O3 and a molecular weight of 358.53 g/mol. Its IUPAC name is ethane;ethanol;N-ethylethanamine;4-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Nameethane;ethanol;N-ethylethanamine;4-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID143797168
Molecular FormulaC18H38N4O3
Molecular Weight358.53 g/mol
Exact Mass358.29
IUPAC Nameethane;ethanol;N-ethylethanamine;4-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide
SMILESCC.CCNCC.CCO.Cc1cn[nH]c1C(=O)NC1CCOCC1
InChIInChI=1S/C10H15N3O2.C4H11N.C2H6O.C2H6/c1-7-6-11-13-9(7)10(14)12-8-2-4-15-5-3-8;1-3-5-4-2;1-2-3;1-2/h6,8H,2-5H2,1H3,(H,11,13)(H,12,14);5H,3-4H2,1-2H3;3H,2H2,1H3;1-2H3
InChIKeyVDMZHJKZZKFVCF-UHFFFAOYSA-N
XLogP2.27
TPSA99.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-methyl-1H-pyrazole-5-carboxamide
CID 110847961
N-(4-methoxycyclohexyl)-4-(oxane-4-carbonylamino)-1H-pyrazole-5-carboxamide
CID 118714251
N-(oxan-4-yl)-4-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 154654592
4-chloro-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 72879381
4-(2-fluoro-6-methylphenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 142995019
5-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
CID 70669437
2-(ethylamino)-N-(oxan-4-yl)pyridine-4-carboxamide
CID 62170267
1-[3-(ethylamino)-1H-pyrazol-5-yl]-3-(oxan-4-yl)urea
CID 123349045
4-amino-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-5-carboxamide
CID 83027249
N-(1-amino-2-methylpropan-2-yl)-4-methyl-1H-pyrazole-5-carboxamide
CID 83617586
N-(4-ethyl-1H-pyrazol-5-yl)oxane-4-carboxamide
CID 115680700
4-amino-N-[4-(oxan-4-ylamino)cyclohexyl]-1H-pyrazole-5-carboxamide;3-[(Z)-but-1-enyl]-5-phosphanylhepta-4,6-dien-2-one
CID 143263544

Frequently Asked Questions

What is the IUPAC name of ethane;ethanol;N-ethylethanamine;4-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of ethane;ethanol;N-ethylethanamine;4-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide (CID 143797168) is ethane;ethanol;N-ethylethanamine;4-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for ethane;ethanol;N-ethylethanamine;4-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for ethane;ethanol;N-ethylethanamine;4-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide is CC.CCNCC.CCO.Cc1cn[nH]c1C(=O)NC1CCOCC1.
What is the InChIKey of ethane;ethanol;N-ethylethanamine;4-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is VDMZHJKZZKFVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2.C4H11N.C2H6O.C2H6/c1-7-6-11-13-9(7)10(14)12-8-2-4-15-5-3-8;1-3-5-4-2;1-2-3;1-2/h6,8H,2-5H2,1H3,(H,11,13)(H,12,14);5H,3-4H2,1-2H3;3H,2H2,1H3;1-2H3.
What are the key properties of ethane;ethanol;N-ethylethanamine;4-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide?
ethane;ethanol;N-ethylethanamine;4-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 358.53 g/mol, XLogP of 2.27, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethanol;N-ethylethanamine;4-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 143797168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).