2-[4-[(1-butyl-5-chloro-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide

C18H30ClN5O — CID 9170450

IUPAC2-[4-[(1-butyl-5-chloro-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESCCCCn1nc(C)c(CN2CCN(CC(=O)NC3CC3)CC2)c1Cl
InChIInChI=1S/C18H30ClN5O/c1-3-4-7-24-18(19)16(14(2)21-24)12-22-8-10-23(11-9-22)13-17(25)20-15-5-6-15/h15H,3-13H2,1-2H3,(H,20,25)
InChIKeyHCPDSQDZABNPEI-UHFFFAOYSA-N
MW367.93 g/mol
LogP2.04
Rot. Bonds8

About 2-[4-[(1-butyl-5-chloro-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide

2-[4-[(1-butyl-5-chloro-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide (PubChem CID 9170450) has the molecular formula C18H30ClN5O and a molecular weight of 367.93 g/mol. Its IUPAC name is 2-[4-[(1-butyl-5-chloro-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-[(1-butyl-5-chloro-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide
PubChem CID9170450
Molecular FormulaC18H30ClN5O
Molecular Weight367.93 g/mol
Exact Mass367.21
IUPAC Name2-[4-[(1-butyl-5-chloro-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESCCCCn1nc(C)c(CN2CCN(CC(=O)NC3CC3)CC2)c1Cl
InChIInChI=1S/C18H30ClN5O/c1-3-4-7-24-18(19)16(14(2)21-24)12-22-8-10-23(11-9-22)13-17(25)20-15-5-6-15/h15H,3-13H2,1-2H3,(H,20,25)
InChIKeyHCPDSQDZABNPEI-UHFFFAOYSA-N
XLogP2.04
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.93
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-butyl-5-chloro-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-[(1-butyl-5-chloro-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide (CID 9170450) is 2-[4-[(1-butyl-5-chloro-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-[(1-butyl-5-chloro-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-[(1-butyl-5-chloro-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide is CCCCn1nc(C)c(CN2CCN(CC(=O)NC3CC3)CC2)c1Cl.
What is the InChIKey of 2-[4-[(1-butyl-5-chloro-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide?
The InChIKey is HCPDSQDZABNPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClN5O/c1-3-4-7-24-18(19)16(14(2)21-24)12-22-8-10-23(11-9-22)13-17(25)20-15-5-6-15/h15H,3-13H2,1-2H3,(H,20,25).
What are the key properties of 2-[4-[(1-butyl-5-chloro-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide?
2-[4-[(1-butyl-5-chloro-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide has a molecular weight of 367.93 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-butyl-5-chloro-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 9170450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).