4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide

C11H18N4O3 — CID 81134167

IUPAC4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCC2(O)CCOCC2)c1N
InChIInChI=1S/C11H18N4O3/c1-7-8(12)9(15-14-7)10(16)13-6-11(17)2-4-18-5-3-11/h17H,2-6,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyPGXVLRYMBAARMF-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.43
Rot. Bonds3

About 4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide

4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 81134167) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID81134167
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCC2(O)CCOCC2)c1N
InChIInChI=1S/C11H18N4O3/c1-7-8(12)9(15-14-7)10(16)13-6-11(17)2-4-18-5-3-11/h17H,2-6,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyPGXVLRYMBAARMF-UHFFFAOYSA-N
XLogP-0.43
TPSA113.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 114946954
4-amino-5-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]-1H-pyrazole-3-carboxamide
CID 114143262
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 81130743
4-amino-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 63727436
5-ethyl-N-[(4-hydroxyoxan-4-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 81131094
4-amino-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide
CID 79354725
4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082092
4-amino-5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62082129
4-amino-5-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-3-carboxamide
CID 65117831
4-amino-5-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide
CID 62082279
4-amino-N-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62080909
2-[(4-amino-5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl carbamate
CID 83202712

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide (CID 81134167) is 4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NCC2(O)CCOCC2)c1N.
What is the InChIKey of 4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is PGXVLRYMBAARMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-7-8(12)9(15-14-7)10(16)13-6-11(17)2-4-18-5-3-11/h17H,2-6,12H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide?
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 254.29 g/mol, XLogP of -0.43, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 81134167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).