5-(3-butylheptan-2-yl)-1-methylpyrazole

C15H28N2 — CID 151974382

IUPAC5-(3-butylheptan-2-yl)-1-methylpyrazole
SMILESCCCCC(CCCC)C(C)c1ccnn1C
InChIInChI=1S/C15H28N2/c1-5-7-9-14(10-8-6-2)13(3)15-11-12-16-17(15)4/h11-14H,5-10H2,1-4H3
InChIKeyUBIUYLGFXSQCRW-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.52
Rot. Bonds8

About 5-(3-butylheptan-2-yl)-1-methylpyrazole

5-(3-butylheptan-2-yl)-1-methylpyrazole (PubChem CID 151974382) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 5-(3-butylheptan-2-yl)-1-methylpyrazole.

Molecular Properties

Compound Name5-(3-butylheptan-2-yl)-1-methylpyrazole
PubChem CID151974382
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name5-(3-butylheptan-2-yl)-1-methylpyrazole
SMILESCCCCC(CCCC)C(C)c1ccnn1C
InChIInChI=1S/C15H28N2/c1-5-7-9-14(10-8-6-2)13(3)15-11-12-16-17(15)4/h11-14H,5-10H2,1-4H3
InChIKeyUBIUYLGFXSQCRW-UHFFFAOYSA-N
XLogP4.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-5-octan-2-ylpyrazole
CID 135218459
1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine
CID 79411759
[2-ethyl-1-(2-methylpyrazol-3-yl)hexyl]hydrazine
CID 105307424
1-(2-methylpyrazol-3-yl)hexan-1-ol
CID 63960741
N-methyl-1-(2-methylpyrazol-3-yl)undecan-1-amine
CID 105138251
1-(2-methylpyrazol-3-yl)dodecylhydrazine
CID 105307363
1-(2-methylpyrazol-3-yl)-N-propyloctan-1-amine
CID 115858544
2-methyl-1-(2-methylpyrazol-3-yl)pentan-1-ol
CID 63960739
N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-amine
CID 63962680
3-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 81019743
(2S)-2-(2-methylpyrazol-3-yl)propan-1-ol
CID 177004223
1-(2-methylpyrazol-3-yl)-2-propan-2-ylsulfanylethanol
CID 65134458

Frequently Asked Questions

What is the IUPAC name of 5-(3-butylheptan-2-yl)-1-methylpyrazole?
The IUPAC name of 5-(3-butylheptan-2-yl)-1-methylpyrazole (CID 151974382) is 5-(3-butylheptan-2-yl)-1-methylpyrazole.
What is the SMILES notation for 5-(3-butylheptan-2-yl)-1-methylpyrazole?
The canonical SMILES for 5-(3-butylheptan-2-yl)-1-methylpyrazole is CCCCC(CCCC)C(C)c1ccnn1C.
What is the InChIKey of 5-(3-butylheptan-2-yl)-1-methylpyrazole?
The InChIKey is UBIUYLGFXSQCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-5-7-9-14(10-8-6-2)13(3)15-11-12-16-17(15)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 5-(3-butylheptan-2-yl)-1-methylpyrazole?
5-(3-butylheptan-2-yl)-1-methylpyrazole has a molecular weight of 236.40 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-butylheptan-2-yl)-1-methylpyrazole is sourced from PubChem (CID 151974382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).