(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanamide

C15H26N4O — CID 124845276

IUPAC(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanamide
SMILESCc1c(CNC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)cnn1C
InChIInChI=1S/C15H26N4O/c1-10-6-7-11(2)19(10)13(4)15(20)16-8-14-9-17-18(5)12(14)3/h9-11,13H,6-8H2,1-5H3,(H,16,20)/t10-,11-,13+/m1/s1
InChIKeyIPKCOFQOZAPJSF-WZRBSPASSA-N
MW278.40 g/mol
LogP1.61
Rot. Bonds4

About (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanamide

(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanamide (PubChem CID 124845276) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanamide
PubChem CID124845276
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanamide
SMILESCc1c(CNC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)cnn1C
InChIInChI=1S/C15H26N4O/c1-10-6-7-11(2)19(10)13(4)15(20)16-8-14-9-17-18(5)12(14)3/h9-11,13H,6-8H2,1-5H3,(H,16,20)/t10-,11-,13+/m1/s1
InChIKeyIPKCOFQOZAPJSF-WZRBSPASSA-N
XLogP1.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide
CID 106040607
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-methylpyrazol-1-yl)propanamide
CID 19536899
2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide
CID 19537511
2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 106047403
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbutanamide
CID 106047225
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide
CID 19535270
2-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylbutanamide
CID 106035313
3-cyclopropyl-3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]propanoic acid
CID 106037678
(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 106047444
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylpiperidine-2-carboxamide
CID 106047227
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide
CID 119063153
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylacetamide
CID 106047419

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanamide?
The IUPAC name of (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanamide (CID 124845276) is (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanamide is Cc1c(CNC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)cnn1C.
What is the InChIKey of (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanamide?
The InChIKey is IPKCOFQOZAPJSF-WZRBSPASSA-N. The full InChI is InChI=1S/C15H26N4O/c1-10-6-7-11(2)19(10)13(4)15(20)16-8-14-9-17-18(5)12(14)3/h9-11,13H,6-8H2,1-5H3,(H,16,20)/t10-,11-,13+/m1/s1.
What are the key properties of (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanamide?
(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanamide has a molecular weight of 278.40 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 124845276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).