N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide

C17H31N5O — CID 134701340

IUPACN-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide
SMILESCCc1c(C)nn(C)c1NC(=O)CCC(C)N1CCN(C)CC1
InChIInChI=1S/C17H31N5O/c1-6-15-14(3)19-21(5)17(15)18-16(23)8-7-13(2)22-11-9-20(4)10-12-22/h13H,6-12H2,1-5H3,(H,18,23)
InChIKeyRVDPSMRPTYZECQ-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.65
Rot. Bonds6

About N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide

N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide (PubChem CID 134701340) has the molecular formula C17H31N5O and a molecular weight of 321.47 g/mol. Its IUPAC name is N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide.

Molecular Properties

Compound NameN-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide
PubChem CID134701340
Molecular FormulaC17H31N5O
Molecular Weight321.47 g/mol
Exact Mass321.25
IUPAC NameN-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide
SMILESCCc1c(C)nn(C)c1NC(=O)CCC(C)N1CCN(C)CC1
InChIInChI=1S/C17H31N5O/c1-6-15-14(3)19-21(5)17(15)18-16(23)8-7-13(2)22-11-9-20(4)10-12-22/h13H,6-12H2,1-5H3,(H,18,23)
InChIKeyRVDPSMRPTYZECQ-UHFFFAOYSA-N
XLogP1.65
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide?
The IUPAC name of N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide (CID 134701340) is N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide.
What is the SMILES notation for N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide?
The canonical SMILES for N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide is CCc1c(C)nn(C)c1NC(=O)CCC(C)N1CCN(C)CC1.
What is the InChIKey of N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide?
The InChIKey is RVDPSMRPTYZECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O/c1-6-15-14(3)19-21(5)17(15)18-16(23)8-7-13(2)22-11-9-20(4)10-12-22/h13H,6-12H2,1-5H3,(H,18,23).
What are the key properties of N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide?
N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide has a molecular weight of 321.47 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide is sourced from PubChem (CID 134701340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).