N-(1-chloropropan-2-yl)-N,2,5-trimethylpyrazole-3-carboxamide

C10H16ClN3O — CID 104555901

IUPACN-(1-chloropropan-2-yl)-N,2,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)CCl)n(C)n1
InChIInChI=1S/C10H16ClN3O/c1-7-5-9(14(4)12-7)10(15)13(3)8(2)6-11/h5,8H,6H2,1-4H3
InChIKeyRQZPFPIUIJCMDV-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.43
Rot. Bonds3

About N-(1-chloropropan-2-yl)-N,2,5-trimethylpyrazole-3-carboxamide

N-(1-chloropropan-2-yl)-N,2,5-trimethylpyrazole-3-carboxamide (PubChem CID 104555901) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-N,2,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-N,2,5-trimethylpyrazole-3-carboxamide
PubChem CID104555901
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC NameN-(1-chloropropan-2-yl)-N,2,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)CCl)n(C)n1
InChIInChI=1S/C10H16ClN3O/c1-7-5-9(14(4)12-7)10(15)13(3)8(2)6-11/h5,8H,6H2,1-4H3
InChIKeyRQZPFPIUIJCMDV-UHFFFAOYSA-N
XLogP1.43
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminopropan-2-yl)-N,2,5-trimethylpyrazole-3-carboxamide;hydrochloride
CID 119583908
N-(1-chloropropan-2-yl)-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 104555874
N-butyl-N-(2-hydroxyethyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61059239
N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide
CID 112513798
N-(2-chloro-4-methylpentyl)-2,5-dimethylpyrazole-3-carboxamide
CID 107157214
N-[(3-aminocyclobutyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 66126091
N-[(4-bromophenyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 61057739
N-(2-bromoethyl)-N-cyclobutyl-2,5-dimethylpyrazole-3-carboxamide
CID 102873292
N-[(1-hydroxycyclopentyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 115759708
2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]pyrazole-3-carboxamide
CID 81487439
N,2,5-trimethyl-N-[1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
CID 45209709
N,1-dimethyl-3-(2-methylpropyl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]pyrazole-5-carboxamide
CID 96579908

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-N,2,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of N-(1-chloropropan-2-yl)-N,2,5-trimethylpyrazole-3-carboxamide (CID 104555901) is N-(1-chloropropan-2-yl)-N,2,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-N,2,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-N,2,5-trimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N(C)C(C)CCl)n(C)n1.
What is the InChIKey of N-(1-chloropropan-2-yl)-N,2,5-trimethylpyrazole-3-carboxamide?
The InChIKey is RQZPFPIUIJCMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-7-5-9(14(4)12-7)10(15)13(3)8(2)6-11/h5,8H,6H2,1-4H3.
What are the key properties of N-(1-chloropropan-2-yl)-N,2,5-trimethylpyrazole-3-carboxamide?
N-(1-chloropropan-2-yl)-N,2,5-trimethylpyrazole-3-carboxamide has a molecular weight of 229.71 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-N,2,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 104555901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).