(2S)-2-(4-methylpiperazin-1-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide

C14H25N5O — CID 125130448

IUPAC(2S)-2-(4-methylpiperazin-1-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide
SMILESCc1cnn(CCNC(=O)[C@H](C)N2CCN(C)CC2)c1
InChIInChI=1S/C14H25N5O/c1-12-10-16-19(11-12)5-4-15-14(20)13(2)18-8-6-17(3)7-9-18/h10-11,13H,4-9H2,1-3H3,(H,15,20)/t13-/m0/s1
InChIKeyPJACVLLQHNPDKF-ZDUSSCGKSA-N
MW279.39 g/mol
LogP-0.06
Rot. Bonds5

About (2S)-2-(4-methylpiperazin-1-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide

(2S)-2-(4-methylpiperazin-1-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide (PubChem CID 125130448) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is (2S)-2-(4-methylpiperazin-1-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methylpiperazin-1-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide
PubChem CID125130448
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name(2S)-2-(4-methylpiperazin-1-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide
SMILESCc1cnn(CCNC(=O)[C@H](C)N2CCN(C)CC2)c1
InChIInChI=1S/C14H25N5O/c1-12-10-16-19(11-12)5-4-15-14(20)13(2)18-8-6-17(3)7-9-18/h10-11,13H,4-9H2,1-3H3,(H,15,20)/t13-/m0/s1
InChIKeyPJACVLLQHNPDKF-ZDUSSCGKSA-N
XLogP-0.06
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-((1-Methyl-1H-pyrazol-4-yl)methyl)piperazine
CID 7022272
2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16190577
2-(4-amino-1H-pyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 28379290
3-(1-methyl-1H-pyrazol-4-yl)piperazin-2-one
CID 62349814
1-(1-Methyl-1H-pyrazol-4-yl)-2-piperazinone
CID 64263444
2-(4-Bromo-1H-pyrazol-1-yl)-N-propylpropanamide
CID 19537573
2-(4-bromopyrazol-1-yl)-N-[3-(diethylamino)propyl]propanamide
CID 19537737
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbutanamide
CID 35276265
N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide
CID 39891826
2-(4-Bromopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 45153794
2-(4-Bromopyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 45153795
N-(1-ethylpiperidin-4-yl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
CID 53556864

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylpiperazin-1-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-(4-methylpiperazin-1-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide (CID 125130448) is (2S)-2-(4-methylpiperazin-1-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(4-methylpiperazin-1-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(4-methylpiperazin-1-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide is Cc1cnn(CCNC(=O)[C@H](C)N2CCN(C)CC2)c1.
What is the InChIKey of (2S)-2-(4-methylpiperazin-1-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide?
The InChIKey is PJACVLLQHNPDKF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H25N5O/c1-12-10-16-19(11-12)5-4-15-14(20)13(2)18-8-6-17(3)7-9-18/h10-11,13H,4-9H2,1-3H3,(H,15,20)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-methylpiperazin-1-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide?
(2S)-2-(4-methylpiperazin-1-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide has a molecular weight of 279.39 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylpiperazin-1-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 125130448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).