(2S)-2-(4-methylpiperazin-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]propanamide

C13H23N5O — CID 164635010

IUPAC(2S)-2-(4-methylpiperazin-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]propanamide
SMILESC[C@@H](C(=O)NCCc1ccn[nH]1)N1CCN(C)CC1
InChIInChI=1S/C13H23N5O/c1-11(18-9-7-17(2)8-10-18)13(19)14-5-3-12-4-6-15-16-12/h4,6,11H,3,5,7-10H2,1-2H3,(H,14,19)(H,15,16)/t11-/m0/s1
InChIKeyXIVDHNWDMKQGRR-NSHDSACASA-N
MW265.36 g/mol
LogP-0.30
Rot. Bonds5

About (2S)-2-(4-methylpiperazin-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]propanamide

(2S)-2-(4-methylpiperazin-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]propanamide (PubChem CID 164635010) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is (2S)-2-(4-methylpiperazin-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methylpiperazin-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]propanamide
PubChem CID164635010
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name(2S)-2-(4-methylpiperazin-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]propanamide
SMILESC[C@@H](C(=O)NCCc1ccn[nH]1)N1CCN(C)CC1
InChIInChI=1S/C13H23N5O/c1-11(18-9-7-17(2)8-10-18)13(19)14-5-3-12-4-6-15-16-12/h4,6,11H,3,5,7-10H2,1-2H3,(H,14,19)(H,15,16)/t11-/m0/s1
InChIKeyXIVDHNWDMKQGRR-NSHDSACASA-N
XLogP-0.30
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylpiperazin-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-(4-methylpiperazin-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]propanamide (CID 164635010) is (2S)-2-(4-methylpiperazin-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(4-methylpiperazin-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(4-methylpiperazin-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]propanamide is C[C@@H](C(=O)NCCc1ccn[nH]1)N1CCN(C)CC1.
What is the InChIKey of (2S)-2-(4-methylpiperazin-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]propanamide?
The InChIKey is XIVDHNWDMKQGRR-NSHDSACASA-N. The full InChI is InChI=1S/C13H23N5O/c1-11(18-9-7-17(2)8-10-18)13(19)14-5-3-12-4-6-15-16-12/h4,6,11H,3,5,7-10H2,1-2H3,(H,14,19)(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-2-(4-methylpiperazin-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]propanamide?
(2S)-2-(4-methylpiperazin-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]propanamide has a molecular weight of 265.36 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylpiperazin-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 164635010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).