5-pentyl-1H-pyrazole

C8H14N2 — CID 13433979

IUPAC5-pentyl-1H-pyrazole
SMILESCCCCCc1ccn[nH]1
InChIInChI=1S/C8H14N2/c1-2-3-4-5-8-6-7-9-10-8/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyLMSMYUKVOSQHIT-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.14
Rot. Bonds4

About 5-pentyl-1H-pyrazole

5-pentyl-1H-pyrazole (PubChem CID 13433979) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 5-pentyl-1H-pyrazole.

Molecular Properties

Compound Name5-pentyl-1H-pyrazole
PubChem CID13433979
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name5-pentyl-1H-pyrazole
SMILESCCCCCc1ccn[nH]1
InChIInChI=1S/C8H14N2/c1-2-3-4-5-8-6-7-9-10-8/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyLMSMYUKVOSQHIT-UHFFFAOYSA-N
XLogP2.14
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-hexyl-1H-pyrazole;hydrobromide
CID 174992148
5-[3-[3-(1H-pyrazol-5-yl)propoxy]propyl]-1H-pyrazole
CID 175090190
5-(2-pentyloctyl)-1H-pyrazole
CID 155244347
N-ethyl-2-(1H-pyrazol-5-yl)ethanamine
CID 57167438
5-(2-bromoethyl)-1H-pyrazole
CID 565479
2-(1H-pyrazol-5-yl)ethanethiol
CID 90977804
5-[4-(furan-2-yl)butyl]-1H-pyrazole
CID 90744914
5-(1H-pyrazol-5-yl)pentyl formate
CID 174645463
methyl-[2-(1H-pyrazol-5-yl)ethyl]borinic acid
CID 159593056
ethane;5-(2-methoxyethyl)-1H-pyrazole
CID 170603937
N-(1H-pyrazol-5-ylmethyl)heptan-3-amine
CID 63946149
5-(2-methylsulfinylethyl)-1H-pyrazole
CID 137377880

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-1H-pyrazole?
The IUPAC name of 5-pentyl-1H-pyrazole (CID 13433979) is 5-pentyl-1H-pyrazole.
What is the SMILES notation for 5-pentyl-1H-pyrazole?
The canonical SMILES for 5-pentyl-1H-pyrazole is CCCCCc1ccn[nH]1.
What is the InChIKey of 5-pentyl-1H-pyrazole?
The InChIKey is LMSMYUKVOSQHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-3-4-5-8-6-7-9-10-8/h6-7H,2-5H2,1H3,(H,9,10).
What are the key properties of 5-pentyl-1H-pyrazole?
5-pentyl-1H-pyrazole has a molecular weight of 138.21 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-1H-pyrazole is sourced from PubChem (CID 13433979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).