N-(3-amino-4-methoxybutyl)-2-methylpyrazole-3-carboxamide

C10H18N4O2 — CID 106243123

IUPACN-(3-amino-4-methoxybutyl)-2-methylpyrazole-3-carboxamide
SMILESCOCC(N)CCNC(=O)c1ccnn1C
InChIInChI=1S/C10H18N4O2/c1-14-9(4-6-13-14)10(15)12-5-3-8(11)7-16-2/h4,6,8H,3,5,7,11H2,1-2H3,(H,12,15)
InChIKeyXISOOLFFNNOLBA-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.49
Rot. Bonds6

About N-(3-amino-4-methoxybutyl)-2-methylpyrazole-3-carboxamide

N-(3-amino-4-methoxybutyl)-2-methylpyrazole-3-carboxamide (PubChem CID 106243123) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(3-amino-4-methoxybutyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxybutyl)-2-methylpyrazole-3-carboxamide
PubChem CID106243123
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN-(3-amino-4-methoxybutyl)-2-methylpyrazole-3-carboxamide
SMILESCOCC(N)CCNC(=O)c1ccnn1C
InChIInChI=1S/C10H18N4O2/c1-14-9(4-6-13-14)10(15)12-5-3-8(11)7-16-2/h4,6,8H,3,5,7,11H2,1-2H3,(H,12,15)
InChIKeyXISOOLFFNNOLBA-UHFFFAOYSA-N
XLogP-0.49
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide
CID 19475749
N-(5-hydroxy-4-methylpentyl)-2-methylpyrazole-3-carboxamide
CID 103862125
N-(4-bromopentyl)-2-methylpyrazole-3-carboxamide
CID 106130377
N-(4-chloro-1-methoxybutan-2-yl)-2-methylpyrazole-3-carboxamide
CID 106154825
N-(3-chloropropyl)-2-methylpyrazole-3-carboxamide
CID 17167946
N-(3-amino-4-methoxybutyl)-3-methoxypyridine-4-carboxamide
CID 106243160
N-(3-amino-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106243450
2-methoxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 106107552
N-(3-amino-4-methoxybutyl)-2,5-dimethylbenzamide
CID 114163030
2-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 19475610
2-methyl-N-[2-(4-methylphenyl)ethyl]pyrazole-3-carboxamide
CID 112528913
2-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide
CID 19506929

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxybutyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3-amino-4-methoxybutyl)-2-methylpyrazole-3-carboxamide (CID 106243123) is N-(3-amino-4-methoxybutyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-4-methoxybutyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-amino-4-methoxybutyl)-2-methylpyrazole-3-carboxamide is COCC(N)CCNC(=O)c1ccnn1C.
What is the InChIKey of N-(3-amino-4-methoxybutyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is XISOOLFFNNOLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-14-9(4-6-13-14)10(15)12-5-3-8(11)7-16-2/h4,6,8H,3,5,7,11H2,1-2H3,(H,12,15).
What are the key properties of N-(3-amino-4-methoxybutyl)-2-methylpyrazole-3-carboxamide?
N-(3-amino-4-methoxybutyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 226.28 g/mol, XLogP of -0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxybutyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 106243123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).