7-methylidene-5-pentan-3-yl-4H-pyrazolo[1,5-a]pyrimidine

C12H17N3 — CID 163907633

IUPAC7-methylidene-5-pentan-3-yl-4H-pyrazolo[1,5-a]pyrimidine
SMILESC=C1C=C(C(CC)CC)Nc2ccnn21
InChIInChI=1S/C12H17N3/c1-4-10(5-2)11-8-9(3)15-12(14-11)6-7-13-15/h6-8,10,14H,3-5H2,1-2H3
InChIKeyQPJAVJFUTNFFQI-UHFFFAOYSA-N
MW203.29 g/mol
LogP3.10
Rot. Bonds3

About 7-methylidene-5-pentan-3-yl-4H-pyrazolo[1,5-a]pyrimidine

7-methylidene-5-pentan-3-yl-4H-pyrazolo[1,5-a]pyrimidine (PubChem CID 163907633) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 7-methylidene-5-pentan-3-yl-4H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-methylidene-5-pentan-3-yl-4H-pyrazolo[1,5-a]pyrimidine
PubChem CID163907633
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name7-methylidene-5-pentan-3-yl-4H-pyrazolo[1,5-a]pyrimidine
SMILESC=C1C=C(C(CC)CC)Nc2ccnn21
InChIInChI=1S/C12H17N3/c1-4-10(5-2)11-8-9(3)15-12(14-11)6-7-13-15/h6-8,10,14H,3-5H2,1-2H3
InChIKeyQPJAVJFUTNFFQI-UHFFFAOYSA-N
XLogP3.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-propan-2-ylcyclohexa-1,5-dien-1-yl)-N-methylpyrazol-3-amine
CID 135232912
1-(4-Ethyl-3-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine
CID 135232950
1-(3-Fluoro-4-propan-2-ylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine
CID 143818136
5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine
CID 166968399
N-[(3E)-5-(2-fluoro-2-methylcyclopropyl)penta-1,3-dien-2-yl]-1-methylpyrazol-3-amine
CID 177342696
4,5,6,7,8,9-Hexahydropyrazolo[1,5-a]quinazoline
CID 137700821
[(2Z)-1-(5-aminopyrazol-1-yl)-2,4-dimethylpenta-2,4-dienylidene]tungsten
CID 21337557
5-Cyclohexyl-4-methyl-7-methylidenepyrazolo[1,5-a]pyrimidine
CID 89058500
1-[(3Z,5Z)-5-(aminomethylidene)-6-methylhepta-1,3-dien-2-yl]pyrazol-3-amine
CID 89179233
2-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrazol-3-amine
CID 89250424
2-(1-Methyl-5-propan-2-ylcyclohex-3-en-1-yl)pyrazol-3-amine
CID 89482608
2-(1,5-Dimethylcyclohex-3-en-1-yl)pyrazol-3-amine
CID 89482853

Frequently Asked Questions

What is the IUPAC name of 7-methylidene-5-pentan-3-yl-4H-pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-methylidene-5-pentan-3-yl-4H-pyrazolo[1,5-a]pyrimidine (CID 163907633) is 7-methylidene-5-pentan-3-yl-4H-pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-methylidene-5-pentan-3-yl-4H-pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-methylidene-5-pentan-3-yl-4H-pyrazolo[1,5-a]pyrimidine is C=C1C=C(C(CC)CC)Nc2ccnn21.
What is the InChIKey of 7-methylidene-5-pentan-3-yl-4H-pyrazolo[1,5-a]pyrimidine?
The InChIKey is QPJAVJFUTNFFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-4-10(5-2)11-8-9(3)15-12(14-11)6-7-13-15/h6-8,10,14H,3-5H2,1-2H3.
What are the key properties of 7-methylidene-5-pentan-3-yl-4H-pyrazolo[1,5-a]pyrimidine?
7-methylidene-5-pentan-3-yl-4H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 203.29 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-5-pentan-3-yl-4H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 163907633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).