(2S)-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide

C12H21N5O — CID 126423142

IUPAC(2S)-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide
SMILESC[C@@H](C(=O)NCc1ccn[nH]1)N1CCN(C)CC1
InChIInChI=1S/C12H21N5O/c1-10(17-7-5-16(2)6-8-17)12(18)13-9-11-3-4-14-15-11/h3-4,10H,5-9H2,1-2H3,(H,13,18)(H,14,15)/t10-/m0/s1
InChIKeySEYVCXSGKMMKNO-JTQLQIEISA-N
MW251.33 g/mol
LogP-0.34
Rot. Bonds4

About (2S)-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide

(2S)-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide (PubChem CID 126423142) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is (2S)-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide
PubChem CID126423142
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name(2S)-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide
SMILESC[C@@H](C(=O)NCc1ccn[nH]1)N1CCN(C)CC1
InChIInChI=1S/C12H21N5O/c1-10(17-7-5-16(2)6-8-17)12(18)13-9-11-3-4-14-15-11/h3-4,10H,5-9H2,1-2H3,(H,13,18)(H,14,15)/t10-/m0/s1
InChIKeySEYVCXSGKMMKNO-JTQLQIEISA-N
XLogP-0.34
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.34
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-(1H-pyrazol-5-ylmethyl)propanamide?
The IUPAC name of (2S)-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide (CID 126423142) is (2S)-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide is C[C@@H](C(=O)NCc1ccn[nH]1)N1CCN(C)CC1.
What is the InChIKey of (2S)-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide?
The InChIKey is SEYVCXSGKMMKNO-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21N5O/c1-10(17-7-5-16(2)6-8-17)12(18)13-9-11-3-4-14-15-11/h3-4,10H,5-9H2,1-2H3,(H,13,18)(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide?
(2S)-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide has a molecular weight of 251.33 g/mol, XLogP of -0.34, 4 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-(1H-pyrazol-5-ylmethyl)propanamide is sourced from PubChem (CID 126423142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).