4-butan-2-yl-5-ethenyl-3-pentan-3-yl-1-[(Z)-prop-1-enyl]pyrazole

C17H28N2 — CID 156545038

IUPAC4-butan-2-yl-5-ethenyl-3-pentan-3-yl-1-[(Z)-prop-1-enyl]pyrazole
SMILESC=Cc1c(C(C)CC)c(C(CC)CC)nn1/C=C\C
InChIInChI=1S/C17H28N2/c1-7-12-19-15(11-5)16(13(6)8-2)17(18-19)14(9-3)10-4/h7,11-14H,5,8-10H2,1-4,6H3/b12-7-
InChIKeyAGPPFFDAXPRJKF-GHXNOFRVSA-N
MW260.42 g/mol
LogP5.43
Rot. Bonds7

About 4-butan-2-yl-5-ethenyl-3-pentan-3-yl-1-[(Z)-prop-1-enyl]pyrazole

4-butan-2-yl-5-ethenyl-3-pentan-3-yl-1-[(Z)-prop-1-enyl]pyrazole (PubChem CID 156545038) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 4-butan-2-yl-5-ethenyl-3-pentan-3-yl-1-[(Z)-prop-1-enyl]pyrazole.

Molecular Properties

Compound Name4-butan-2-yl-5-ethenyl-3-pentan-3-yl-1-[(Z)-prop-1-enyl]pyrazole
PubChem CID156545038
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name4-butan-2-yl-5-ethenyl-3-pentan-3-yl-1-[(Z)-prop-1-enyl]pyrazole
SMILESC=Cc1c(C(C)CC)c(C(CC)CC)nn1/C=C\C
InChIInChI=1S/C17H28N2/c1-7-12-19-15(11-5)16(13(6)8-2)17(18-19)14(9-3)10-4/h7,11-14H,5,8-10H2,1-4,6H3/b12-7-
InChIKeyAGPPFFDAXPRJKF-GHXNOFRVSA-N
XLogP5.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 24825775
CID 24825775
CID 579801
CID 579801
CID 14176838
CID 14176838
CID 129028149
CID 129028149
CID 129133813
CID 129133813
CID 163655870
CID 163655870
CID 140239
CID 140239
CID 90162238
CID 90162238
CID 90167796
CID 90167796
CID 118357656
CID 118357656
CID 123288380
CID 123288380
CID 123341392
CID 123341392

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-5-ethenyl-3-pentan-3-yl-1-[(Z)-prop-1-enyl]pyrazole?
The IUPAC name of 4-butan-2-yl-5-ethenyl-3-pentan-3-yl-1-[(Z)-prop-1-enyl]pyrazole (CID 156545038) is 4-butan-2-yl-5-ethenyl-3-pentan-3-yl-1-[(Z)-prop-1-enyl]pyrazole.
What is the SMILES notation for 4-butan-2-yl-5-ethenyl-3-pentan-3-yl-1-[(Z)-prop-1-enyl]pyrazole?
The canonical SMILES for 4-butan-2-yl-5-ethenyl-3-pentan-3-yl-1-[(Z)-prop-1-enyl]pyrazole is C=Cc1c(C(C)CC)c(C(CC)CC)nn1/C=C\C.
What is the InChIKey of 4-butan-2-yl-5-ethenyl-3-pentan-3-yl-1-[(Z)-prop-1-enyl]pyrazole?
The InChIKey is AGPPFFDAXPRJKF-GHXNOFRVSA-N. The full InChI is InChI=1S/C17H28N2/c1-7-12-19-15(11-5)16(13(6)8-2)17(18-19)14(9-3)10-4/h7,11-14H,5,8-10H2,1-4,6H3/b12-7-.
What are the key properties of 4-butan-2-yl-5-ethenyl-3-pentan-3-yl-1-[(Z)-prop-1-enyl]pyrazole?
4-butan-2-yl-5-ethenyl-3-pentan-3-yl-1-[(Z)-prop-1-enyl]pyrazole has a molecular weight of 260.42 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-5-ethenyl-3-pentan-3-yl-1-[(Z)-prop-1-enyl]pyrazole is sourced from PubChem (CID 156545038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).