4-amino-5-ethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide

C11H18N4O2 — CID 62081121

IUPAC4-amino-5-ethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCC2CCOC2)c1N
InChIInChI=1S/C11H18N4O2/c1-2-8-9(12)10(15-14-8)11(16)13-5-7-3-4-17-6-7/h7H,2-6,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyYKRCTRNALWDKCI-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.32
Rot. Bonds4

About 4-amino-5-ethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide

4-amino-5-ethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 62081121) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-amino-5-ethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-ethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID62081121
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-amino-5-ethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCC2CCOC2)c1N
InChIInChI=1S/C11H18N4O2/c1-2-8-9(12)10(15-14-8)11(16)13-5-7-3-4-17-6-7/h7H,2-6,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyYKRCTRNALWDKCI-UHFFFAOYSA-N
XLogP0.32
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N,5-diethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62080957
4-amino-5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62082129
4-amino-5-ethyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62081323
4-amino-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 63727436
4-amino-5-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]-1H-pyrazole-3-carboxamide
CID 114143262
5-methyl-N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386706
3-ethyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide
CID 169269388
4-amino-5-ethyl-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide
CID 55034049
4-amino-5-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-3-carboxamide
CID 65117831
5-ethyl-N-(oxolan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 80715628
4-amino-5-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-3-carboxamide
CID 107210470
4-amino-5-ethyl-N-(2-methylprop-2-enyl)-1H-pyrazole-3-carboxamide
CID 114615036

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-ethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide (CID 62081121) is 4-amino-5-ethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-ethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-ethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NCC2CCOC2)c1N.
What is the InChIKey of 4-amino-5-ethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is YKRCTRNALWDKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-8-9(12)10(15-14-8)11(16)13-5-7-3-4-17-6-7/h7H,2-6,12H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 4-amino-5-ethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide?
4-amino-5-ethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62081121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).