1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-carboxamide

C12H21N3O2 — CID 19474153

IUPAC1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCCOC(C)C)cnn1C
InChIInChI=1S/C12H21N3O2/c1-9(2)17-7-5-6-13-12(16)11-8-14-15(4)10(11)3/h8-9H,5-7H2,1-4H3,(H,13,16)
InChIKeyZFNBXXAJXAOQKH-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.27
Rot. Bonds6

About 1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-carboxamide

1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-carboxamide (PubChem CID 19474153) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-carboxamide
PubChem CID19474153
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCCOC(C)C)cnn1C
InChIInChI=1S/C12H21N3O2/c1-9(2)17-7-5-6-13-12(16)11-8-14-15(4)10(11)3/h8-9H,5-7H2,1-4H3,(H,13,16)
InChIKeyZFNBXXAJXAOQKH-UHFFFAOYSA-N
XLogP1.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-carboxamide?
The IUPAC name of 1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-carboxamide (CID 19474153) is 1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-carboxamide is Cc1c(C(=O)NCCCOC(C)C)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-carboxamide?
The InChIKey is ZFNBXXAJXAOQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)17-7-5-6-13-12(16)11-8-14-15(4)10(11)3/h8-9H,5-7H2,1-4H3,(H,13,16).
What are the key properties of 1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-carboxamide?
1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 19474153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).