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

C12H20N4O3 — CID 114946954

IUPAC4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(C)CC2(O)CCOCC2)c1N
InChIInChI=1S/C12H20N4O3/c1-8-9(13)10(15-14-8)11(17)16(2)7-12(18)3-5-19-6-4-12/h18H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyMNSLKGBJRBQSSW-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.09
Rot. Bonds3

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

4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide (PubChem CID 114946954) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
PubChem CID114946954
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(C)CC2(O)CCOCC2)c1N
InChIInChI=1S/C12H20N4O3/c1-8-9(13)10(15-14-8)11(17)16(2)7-12(18)3-5-19-6-4-12/h18H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyMNSLKGBJRBQSSW-UHFFFAOYSA-N
XLogP-0.09
TPSA104.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 81134167
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
CID 114951437
4-amino-N-(2-hydroxypropyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 62333257
4-amino-N,5-dimethyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 63727250
4-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 63693551
4-amino-N-butyl-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 62081030
5-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrazine-2-carboxamide
CID 107377151
N-[(4-hydroxyoxan-4-yl)methyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide
CID 114951604
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,3-dimethylbenzamide
CID 114946885
3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethylbenzamide
CID 114946931
N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114951605
ethyl N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcarbamate
CID 114951750

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide (CID 114946954) is 4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)N(C)CC2(O)CCOCC2)c1N.
What is the InChIKey of 4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is MNSLKGBJRBQSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-8-9(13)10(15-14-8)11(17)16(2)7-12(18)3-5-19-6-4-12/h18H,3-7,13H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide?
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide has a molecular weight of 268.32 g/mol, XLogP of -0.09, 3 rotatable bonds, 3 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]-N,5-dimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 114946954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).