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

C13H23N5O — CID 164641980

IUPAC(2S)-N-methyl-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide
SMILESC[C@@H](C(=O)N(C)Cc1ccn[nH]1)N1CCN(C)CC1
InChIInChI=1S/C13H23N5O/c1-11(18-8-6-16(2)7-9-18)13(19)17(3)10-12-4-5-14-15-12/h4-5,11H,6-10H2,1-3H3,(H,14,15)/t11-/m0/s1
InChIKeySDSJJUYRASTVGX-NSHDSACASA-N
MW265.36 g/mol
LogP0.00
Rot. Bonds4

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

(2S)-N-methyl-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide (PubChem CID 164641980) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is (2S)-N-methyl-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-N-methyl-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide
PubChem CID164641980
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name(2S)-N-methyl-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide
SMILESC[C@@H](C(=O)N(C)Cc1ccn[nH]1)N1CCN(C)CC1
InChIInChI=1S/C13H23N5O/c1-11(18-8-6-16(2)7-9-18)13(19)17(3)10-12-4-5-14-15-12/h4-5,11H,6-10H2,1-3H3,(H,14,15)/t11-/m0/s1
InChIKeySDSJJUYRASTVGX-NSHDSACASA-N
XLogP0.00
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide?
The IUPAC name of (2S)-N-methyl-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide (CID 164641980) is (2S)-N-methyl-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide.
What is the SMILES notation for (2S)-N-methyl-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide?
The canonical SMILES for (2S)-N-methyl-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide is C[C@@H](C(=O)N(C)Cc1ccn[nH]1)N1CCN(C)CC1.
What is the InChIKey of (2S)-N-methyl-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide?
The InChIKey is SDSJJUYRASTVGX-NSHDSACASA-N. The full InChI is InChI=1S/C13H23N5O/c1-11(18-8-6-16(2)7-9-18)13(19)17(3)10-12-4-5-14-15-12/h4-5,11H,6-10H2,1-3H3,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-N-methyl-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide?
(2S)-N-methyl-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide has a molecular weight of 265.36 g/mol, XLogP of 0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide is sourced from PubChem (CID 164641980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).