5-(3-methylpent-1-ynyl)-1H-pyrazole

C9H12N2 — CID 156542080

IUPAC5-(3-methylpent-1-ynyl)-1H-pyrazole
SMILESCCC(C)C#Cc1ccn[nH]1
InChIInChI=1S/C9H12N2/c1-3-8(2)4-5-9-6-7-10-11-9/h6-8H,3H2,1-2H3,(H,10,11)
InChIKeyNVWNGSPAXVHOCW-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.81
Rot. Bonds1

About 5-(3-methylpent-1-ynyl)-1H-pyrazole

5-(3-methylpent-1-ynyl)-1H-pyrazole (PubChem CID 156542080) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 5-(3-methylpent-1-ynyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(3-methylpent-1-ynyl)-1H-pyrazole
PubChem CID156542080
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name5-(3-methylpent-1-ynyl)-1H-pyrazole
SMILESCCC(C)C#Cc1ccn[nH]1
InChIInChI=1S/C9H12N2/c1-3-8(2)4-5-9-6-7-10-11-9/h6-8H,3H2,1-2H3,(H,10,11)
InChIKeyNVWNGSPAXVHOCW-UHFFFAOYSA-N
XLogP1.81
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(1H-pyrazol-5-yl)but-3-yn-2-amine
CID 126984347
1H-pyrazole-5-carbonitrile;dihydrochloride
CID 139536468
N-(2-cyanopropyl)-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102691107
5-(3-methylpent-1-ynyl)-1H-imidazole-4-carbonitrile
CID 139725890
1,2,3,4,5-pentafluoro-6-(3-methylpent-1-ynyl)benzene
CID 131983447
N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide
CID 102691097
2,4-dimethoxy-6-(3-methylpent-1-ynyl)-1,3,5-triazine
CID 23247536
ethyl 2-(1H-pyrazol-5-yl)butanoate
CID 176656785
5-(1-fluoroethyl)-1H-pyrazole
CID 147386322
N-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 102690466
5-(1-methylsulfanylethyl)-1H-pyrazole
CID 123304463
1-(1H-pyrazol-5-yl)ethanamine;dihydrochloride
CID 21114808

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpent-1-ynyl)-1H-pyrazole?
The IUPAC name of 5-(3-methylpent-1-ynyl)-1H-pyrazole (CID 156542080) is 5-(3-methylpent-1-ynyl)-1H-pyrazole.
What is the SMILES notation for 5-(3-methylpent-1-ynyl)-1H-pyrazole?
The canonical SMILES for 5-(3-methylpent-1-ynyl)-1H-pyrazole is CCC(C)C#Cc1ccn[nH]1.
What is the InChIKey of 5-(3-methylpent-1-ynyl)-1H-pyrazole?
The InChIKey is NVWNGSPAXVHOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-8(2)4-5-9-6-7-10-11-9/h6-8H,3H2,1-2H3,(H,10,11).
What are the key properties of 5-(3-methylpent-1-ynyl)-1H-pyrazole?
5-(3-methylpent-1-ynyl)-1H-pyrazole has a molecular weight of 148.21 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpent-1-ynyl)-1H-pyrazole is sourced from PubChem (CID 156542080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).