4-(3-methylnonan-3-yl)-1-propan-2-ylpyrazole

C16H30N2 — CID 167088129

IUPAC4-(3-methylnonan-3-yl)-1-propan-2-ylpyrazole
SMILESCCCCCCC(C)(CC)c1cnn(C(C)C)c1
InChIInChI=1S/C16H30N2/c1-6-8-9-10-11-16(5,7-2)15-12-17-18(13-15)14(3)4/h12-14H,6-11H2,1-5H3
InChIKeyRZCOROWZGMEUIR-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.10
Rot. Bonds8

About 4-(3-methylnonan-3-yl)-1-propan-2-ylpyrazole

4-(3-methylnonan-3-yl)-1-propan-2-ylpyrazole (PubChem CID 167088129) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 4-(3-methylnonan-3-yl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-(3-methylnonan-3-yl)-1-propan-2-ylpyrazole
PubChem CID167088129
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name4-(3-methylnonan-3-yl)-1-propan-2-ylpyrazole
SMILESCCCCCCC(C)(CC)c1cnn(C(C)C)c1
InChIInChI=1S/C16H30N2/c1-6-8-9-10-11-16(5,7-2)15-12-17-18(13-15)14(3)4/h12-14H,6-11H2,1-5H3
InChIKeyRZCOROWZGMEUIR-UHFFFAOYSA-N
XLogP5.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(5-methylundecan-5-yl)-1-propan-2-yltriazole
CID 126762814
3-(5-methyldecan-5-yl)-1-propan-2-yl-1,2,4-triazole
CID 138574772
tributyl-(1-propan-2-ylpyrazol-4-yl)stannane
CID 58266758
5-(3-methylnonan-3-yl)pyridin-3-amine
CID 137436424
N-[(1-propan-2-ylpyrazol-4-yl)methyl]heptan-1-amine;hydrochloride
CID 126967235
4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole
CID 164784593
2-(3-methylnonan-3-yl)pyrazine
CID 139342316
3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine
CID 115630774
5-(3-methylpentadecan-3-yl)-1,3-oxazole
CID 170549618
2-chloro-1-methyl-4-(6-methyldodecan-6-yl)pyrrole
CID 146378002
3-(7-methyltridecan-7-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 170151898
1-bromo-3-(3-methylnonan-3-yl)benzene
CID 134535746

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylnonan-3-yl)-1-propan-2-ylpyrazole?
The IUPAC name of 4-(3-methylnonan-3-yl)-1-propan-2-ylpyrazole (CID 167088129) is 4-(3-methylnonan-3-yl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 4-(3-methylnonan-3-yl)-1-propan-2-ylpyrazole?
The canonical SMILES for 4-(3-methylnonan-3-yl)-1-propan-2-ylpyrazole is CCCCCCC(C)(CC)c1cnn(C(C)C)c1.
What is the InChIKey of 4-(3-methylnonan-3-yl)-1-propan-2-ylpyrazole?
The InChIKey is RZCOROWZGMEUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-6-8-9-10-11-16(5,7-2)15-12-17-18(13-15)14(3)4/h12-14H,6-11H2,1-5H3.
What are the key properties of 4-(3-methylnonan-3-yl)-1-propan-2-ylpyrazole?
4-(3-methylnonan-3-yl)-1-propan-2-ylpyrazole has a molecular weight of 250.43 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylnonan-3-yl)-1-propan-2-ylpyrazole is sourced from PubChem (CID 167088129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).