N-(4-chloro-1-methoxybutan-2-yl)-2-methylpyrazole-3-carboxamide

C10H16ClN3O2 — CID 106154825

IUPACN-(4-chloro-1-methoxybutan-2-yl)-2-methylpyrazole-3-carboxamide
SMILESCOCC(CCCl)NC(=O)c1ccnn1C
InChIInChI=1S/C10H16ClN3O2/c1-14-9(4-6-12-14)10(15)13-8(3-5-11)7-16-2/h4,6,8H,3,5,7H2,1-2H3,(H,13,15)
InChIKeyIGZGNYRDKZZQJY-UHFFFAOYSA-N
MW245.71 g/mol
LogP0.79
Rot. Bonds6

About N-(4-chloro-1-methoxybutan-2-yl)-2-methylpyrazole-3-carboxamide

N-(4-chloro-1-methoxybutan-2-yl)-2-methylpyrazole-3-carboxamide (PubChem CID 106154825) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is N-(4-chloro-1-methoxybutan-2-yl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-1-methoxybutan-2-yl)-2-methylpyrazole-3-carboxamide
PubChem CID106154825
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC NameN-(4-chloro-1-methoxybutan-2-yl)-2-methylpyrazole-3-carboxamide
SMILESCOCC(CCCl)NC(=O)c1ccnn1C
InChIInChI=1S/C10H16ClN3O2/c1-14-9(4-6-12-14)10(15)13-8(3-5-11)7-16-2/h4,6,8H,3,5,7H2,1-2H3,(H,13,15)
InChIKeyIGZGNYRDKZZQJY-UHFFFAOYSA-N
XLogP0.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(4-chloro-1-methoxybutan-2-yl)-2-methylpyrazole-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

N-(4-chloro-1-methoxybutan-2-yl)benzamide
CID 106154813
2-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 19475610
N-(4-chloro-1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 106155771
N-(1-aminopentan-3-yl)-2-methylpyrazole-3-carboxamide
CID 62921299
N-(3-amino-4-methoxybutyl)-2-methylpyrazole-3-carboxamide
CID 106243123
N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-2-methylpyrazole-3-carboxamide
CID 100646270
N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
CID 61246953
N-(1-bromo-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
CID 114311618
N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide
CID 19475749
N-(1-amino-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
CID 63754352
N-(4-chloro-1-methoxybutan-2-yl)quinoline-8-carboxamide
CID 106155330
N-(3-chloropropyl)-2-methylpyrazole-3-carboxamide
CID 17167946

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)-2-methylpyrazole-3-carboxamide (CID 106154825) is N-(4-chloro-1-methoxybutan-2-yl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-chloro-1-methoxybutan-2-yl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-chloro-1-methoxybutan-2-yl)-2-methylpyrazole-3-carboxamide is COCC(CCCl)NC(=O)c1ccnn1C.
What is the InChIKey of N-(4-chloro-1-methoxybutan-2-yl)-2-methylpyrazole-3-carboxamide?
The InChIKey is IGZGNYRDKZZQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-14-9(4-6-12-14)10(15)13-8(3-5-11)7-16-2/h4,6,8H,3,5,7H2,1-2H3,(H,13,15).
What are the key properties of N-(4-chloro-1-methoxybutan-2-yl)-2-methylpyrazole-3-carboxamide?
N-(4-chloro-1-methoxybutan-2-yl)-2-methylpyrazole-3-carboxamide has a molecular weight of 245.71 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1-methoxybutan-2-yl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 106154825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).