2-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpiperazine

C15H26N4 — CID 64838464

IUPAC2-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(Cc2cnn(C)c2)C(C2CC2)CN1
InChIInChI=1S/C15H26N4/c1-11(2)14-10-19(9-12-6-17-18(3)8-12)15(7-16-14)13-4-5-13/h6,8,11,13-16H,4-5,7,9-10H2,1-3H3
InChIKeyVKTNVHLADGHHIN-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.63
Rot. Bonds4

About 2-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpiperazine

2-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpiperazine (PubChem CID 64838464) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpiperazine
PubChem CID64838464
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name2-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(Cc2cnn(C)c2)C(C2CC2)CN1
InChIInChI=1S/C15H26N4/c1-11(2)14-10-19(9-12-6-17-18(3)8-12)15(7-16-14)13-4-5-13/h6,8,11,13-16H,4-5,7,9-10H2,1-3H3
InChIKeyVKTNVHLADGHHIN-UHFFFAOYSA-N
XLogP1.63
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-bromophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
CID 64838844
1-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
CID 79697666
2-cyclopropyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64839337
2-cyclopropyl-5,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64861983
2-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine
CID 103016319
1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
CID 107888494
7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepane
CID 103016723
2-cyclopropyl-1-(3-phenylpropyl)-5-propan-2-ylpiperazine
CID 64839240
1-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
CID 102862470
5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 115979536
5-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpiperazine
CID 64849123
5-[(5-butan-2-yl-2-cyclopropylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644908

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpiperazine?
The IUPAC name of 2-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpiperazine (CID 64838464) is 2-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpiperazine?
The canonical SMILES for 2-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpiperazine is CC(C)C1CN(Cc2cnn(C)c2)C(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpiperazine?
The InChIKey is VKTNVHLADGHHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-11(2)14-10-19(9-12-6-17-18(3)8-12)15(7-16-14)13-4-5-13/h6,8,11,13-16H,4-5,7,9-10H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpiperazine?
2-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpiperazine has a molecular weight of 262.40 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpiperazine is sourced from PubChem (CID 64838464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).