N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide

C17H26ClN5O — CID 70768787

IUPACN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)NCCCn1nc(C)c(Cl)c1C
InChIInChI=1S/C17H26ClN5O/c1-6-22-15(10-14(21-22)11(2)3)17(24)19-8-7-9-23-13(5)16(18)12(4)20-23/h10-11H,6-9H2,1-5H3,(H,19,24)
InChIKeySTHXSSPHNFGVSS-UHFFFAOYSA-N
MW351.88 g/mol
LogP3.31
Rot. Bonds7

About N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide

N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 70768787) has the molecular formula C17H26ClN5O and a molecular weight of 351.88 g/mol. Its IUPAC name is N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID70768787
Molecular FormulaC17H26ClN5O
Molecular Weight351.88 g/mol
Exact Mass351.18
IUPAC NameN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)NCCCn1nc(C)c(Cl)c1C
InChIInChI=1S/C17H26ClN5O/c1-6-22-15(10-14(21-22)11(2)3)17(24)19-8-7-9-23-13(5)16(18)12(4)20-23/h10-11H,6-9H2,1-5H3,(H,19,24)
InChIKeySTHXSSPHNFGVSS-UHFFFAOYSA-N
XLogP3.31
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

LmCPB-IN-1
CID 145974244
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CID 141747275
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CID 162665461
N,5-ditert-butyl-1-pentylpyrazole-3-carboxamide
CID 162668036
5-tert-butyl-N-cyclohexyl-1-pentylpyrazole-3-carboxamide
CID 162677250
N-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]-4-chloro-1-methyl-1H-pyrazole-5-carboxamide
CID 843652
1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-N-(2-methoxyethyl)-3-methylpyrrolidine-3-carboxamide
CID 49790489
US10022354, Example 233
CID 121279654
WO2021250648, Example 73
CID 162396438
N-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 19591021
1-methyl-3-propan-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide
CID 46963969
1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-3-methyl-N-propylpyrrolidine-3-carboxamide
CID 49791055

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide (CID 70768787) is N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide is CCn1nc(C(C)C)cc1C(=O)NCCCn1nc(C)c(Cl)c1C.
What is the InChIKey of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is STHXSSPHNFGVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN5O/c1-6-22-15(10-14(21-22)11(2)3)17(24)19-8-7-9-23-13(5)16(18)12(4)20-23/h10-11H,6-9H2,1-5H3,(H,19,24).
What are the key properties of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide?
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 351.88 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 70768787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).