1-butan-2-yl-3-[(2-propylimidazol-1-yl)methyl]pyrazole

C14H22N4 — CID 64776968

IUPAC1-butan-2-yl-3-[(2-propylimidazol-1-yl)methyl]pyrazole
SMILESCCCc1nccn1Cc1ccn(C(C)CC)n1
InChIInChI=1S/C14H22N4/c1-4-6-14-15-8-10-17(14)11-13-7-9-18(16-13)12(3)5-2/h7-10,12H,4-6,11H2,1-3H3
InChIKeyMPVLHXZERMKJQX-UHFFFAOYSA-N
MW246.36 g/mol
LogP3.05
Rot. Bonds6

About 1-butan-2-yl-3-[(2-propylimidazol-1-yl)methyl]pyrazole

1-butan-2-yl-3-[(2-propylimidazol-1-yl)methyl]pyrazole (PubChem CID 64776968) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-butan-2-yl-3-[(2-propylimidazol-1-yl)methyl]pyrazole.

Molecular Properties

Compound Name1-butan-2-yl-3-[(2-propylimidazol-1-yl)methyl]pyrazole
PubChem CID64776968
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-butan-2-yl-3-[(2-propylimidazol-1-yl)methyl]pyrazole
SMILESCCCc1nccn1Cc1ccn(C(C)CC)n1
InChIInChI=1S/C14H22N4/c1-4-6-14-15-8-10-17(14)11-13-7-9-18(16-13)12(3)5-2/h7-10,12H,4-6,11H2,1-3H3
InChIKeyMPVLHXZERMKJQX-UHFFFAOYSA-N
XLogP3.05
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[(2-propylimidazol-1-yl)methyl]pyrazole?
The IUPAC name of 1-butan-2-yl-3-[(2-propylimidazol-1-yl)methyl]pyrazole (CID 64776968) is 1-butan-2-yl-3-[(2-propylimidazol-1-yl)methyl]pyrazole.
What is the SMILES notation for 1-butan-2-yl-3-[(2-propylimidazol-1-yl)methyl]pyrazole?
The canonical SMILES for 1-butan-2-yl-3-[(2-propylimidazol-1-yl)methyl]pyrazole is CCCc1nccn1Cc1ccn(C(C)CC)n1.
What is the InChIKey of 1-butan-2-yl-3-[(2-propylimidazol-1-yl)methyl]pyrazole?
The InChIKey is MPVLHXZERMKJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-4-6-14-15-8-10-17(14)11-13-7-9-18(16-13)12(3)5-2/h7-10,12H,4-6,11H2,1-3H3.
What are the key properties of 1-butan-2-yl-3-[(2-propylimidazol-1-yl)methyl]pyrazole?
1-butan-2-yl-3-[(2-propylimidazol-1-yl)methyl]pyrazole has a molecular weight of 246.36 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[(2-propylimidazol-1-yl)methyl]pyrazole is sourced from PubChem (CID 64776968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).