N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide

C21H31N5O — CID 134702012

IUPACN-(1,3-dimethyl-4-phenylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide
SMILESCc1nn(C)c(NC(=O)CCC(C)N2CCN(C)CC2)c1-c1ccccc1
InChIInChI=1S/C21H31N5O/c1-16(26-14-12-24(3)13-15-26)10-11-19(27)22-21-20(17(2)23-25(21)4)18-8-6-5-7-9-18/h5-9,16H,10-15H2,1-4H3,(H,22,27)
InChIKeyWEBKIFISYJXWQK-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.75
Rot. Bonds6

About N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide

N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide (PubChem CID 134702012) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-4-phenylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide
PubChem CID134702012
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC NameN-(1,3-dimethyl-4-phenylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide
SMILESCc1nn(C)c(NC(=O)CCC(C)N2CCN(C)CC2)c1-c1ccccc1
InChIInChI=1S/C21H31N5O/c1-16(26-14-12-24(3)13-15-26)10-11-19(27)22-21-20(17(2)23-25(21)4)18-8-6-5-7-9-18/h5-9,16H,10-15H2,1-4H3,(H,22,27)
InChIKeyWEBKIFISYJXWQK-UHFFFAOYSA-N
XLogP2.75
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide?
The IUPAC name of N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide (CID 134702012) is N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide.
What is the SMILES notation for N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide?
The canonical SMILES for N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide is Cc1nn(C)c(NC(=O)CCC(C)N2CCN(C)CC2)c1-c1ccccc1.
What is the InChIKey of N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide?
The InChIKey is WEBKIFISYJXWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-16(26-14-12-24(3)13-15-26)10-11-19(27)22-21-20(17(2)23-25(21)4)18-8-6-5-7-9-18/h5-9,16H,10-15H2,1-4H3,(H,22,27).
What are the key properties of N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide?
N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide has a molecular weight of 369.51 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide is sourced from PubChem (CID 134702012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).