4-tert-butyl-1,5-dimethylpyrazole;formamide

C10H19N3O — CID 155706087

IUPAC4-tert-butyl-1,5-dimethylpyrazole;formamide
SMILESCc1c(C(C)(C)C)cnn1C.NC=O
InChIInChI=1S/C9H16N2.CH3NO/c1-7-8(9(2,3)4)6-10-11(7)5;2-1-3/h6H,1-5H3;1H,(H2,2,3)
InChIKeyILAMSSPKBSAQCG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.13
Rot. Bonds

About 4-tert-butyl-1,5-dimethylpyrazole;formamide

4-tert-butyl-1,5-dimethylpyrazole;formamide (PubChem CID 155706087) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-tert-butyl-1,5-dimethylpyrazole;formamide.

Molecular Properties

Compound Name4-tert-butyl-1,5-dimethylpyrazole;formamide
PubChem CID155706087
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name4-tert-butyl-1,5-dimethylpyrazole;formamide
SMILESCc1c(C(C)(C)C)cnn1C.NC=O
InChIInChI=1S/C9H16N2.CH3NO/c1-7-8(9(2,3)4)6-10-11(7)5;2-1-3/h6H,1-5H3;1H,(H2,2,3)
InChIKeyILAMSSPKBSAQCG-UHFFFAOYSA-N
XLogP1.13
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid
CID 82406813
ethyl (2S)-2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoate
CID 129386918
4-tert-butyl-1-methylpyrazole-5-sulfonamide
CID 170927539
2-(1,5-dimethylpyrazol-4-yl)-2,2-difluoroacetic acid
CID 84719460
1,5-dimethylpyrazole-4-sulfonamide
CID 13342781
4-tert-butyl-5-cyclopropyl-1-methylpyrazole;4-tert-butyl-2,5-dimethyl-1H-imidazole;4-tert-butyl-1,5-dimethylpyrazole
CID 159383391
(E)-3-(1,4-dimethylpyrazol-5-yl)prop-2-enal
CID 131239814
2-(1,4-dimethylpyrazol-5-yl)propan-2-amine
CID 82416800
5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrole-2-carbaldehyde
CID 115004650
4-tert-butyl-1,5-dimethylpyrazole;1,5-diethyl-4-methylpyrazole;ethane;(Z)-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine;propane
CID 170574356
1-(4-tert-butylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 103851453
2-(4-tert-butyl-5-methylpyrazol-1-yl)-2-methylpropanenitrile
CID 165385872

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,5-dimethylpyrazole;formamide?
The IUPAC name of 4-tert-butyl-1,5-dimethylpyrazole;formamide (CID 155706087) is 4-tert-butyl-1,5-dimethylpyrazole;formamide.
What is the SMILES notation for 4-tert-butyl-1,5-dimethylpyrazole;formamide?
The canonical SMILES for 4-tert-butyl-1,5-dimethylpyrazole;formamide is Cc1c(C(C)(C)C)cnn1C.NC=O.
What is the InChIKey of 4-tert-butyl-1,5-dimethylpyrazole;formamide?
The InChIKey is ILAMSSPKBSAQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.CH3NO/c1-7-8(9(2,3)4)6-10-11(7)5;2-1-3/h6H,1-5H3;1H,(H2,2,3).
What are the key properties of 4-tert-butyl-1,5-dimethylpyrazole;formamide?
4-tert-butyl-1,5-dimethylpyrazole;formamide has a molecular weight of 197.28 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,5-dimethylpyrazole;formamide is sourced from PubChem (CID 155706087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).