2-[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-(2-propylpyrazol-3-yl)acetamide

C16H26N6O — CID 98158163

IUPAC2-[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-(2-propylpyrazol-3-yl)acetamide
SMILESCCCn1nccc1NC(=O)CN[C@@H](C)[C@H](C)n1cc(C)cn1
InChIInChI=1S/C16H26N6O/c1-5-8-21-15(6-7-18-21)20-16(23)10-17-13(3)14(4)22-11-12(2)9-19-22/h6-7,9,11,13-14,17H,5,8,10H2,1-4H3,(H,20,23)/t13-,14-/m0/s1
InChIKeyKPAWHAMBJIAMFL-KBPBESRZSA-N
MW318.43 g/mol
LogP1.98
Rot. Bonds8

About 2-[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-(2-propylpyrazol-3-yl)acetamide

2-[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-(2-propylpyrazol-3-yl)acetamide (PubChem CID 98158163) has the molecular formula C16H26N6O and a molecular weight of 318.43 g/mol. Its IUPAC name is 2-[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-(2-propylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-(2-propylpyrazol-3-yl)acetamide
PubChem CID98158163
Molecular FormulaC16H26N6O
Molecular Weight318.43 g/mol
Exact Mass318.22
IUPAC Name2-[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-(2-propylpyrazol-3-yl)acetamide
SMILESCCCn1nccc1NC(=O)CN[C@@H](C)[C@H](C)n1cc(C)cn1
InChIInChI=1S/C16H26N6O/c1-5-8-21-15(6-7-18-21)20-16(23)10-17-13(3)14(4)22-11-12(2)9-19-22/h6-7,9,11,13-14,17H,5,8,10H2,1-4H3,(H,20,23)/t13-,14-/m0/s1
InChIKeyKPAWHAMBJIAMFL-KBPBESRZSA-N
XLogP1.98
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 95759701
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide
CID 95613963
N-[(R)-cyclopropyl(phenyl)methyl]-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide
CID 95759677
2-(2-methoxyethylamino)-N-(2-propylpyrazol-3-yl)acetamide;hydrochloride
CID 119719149
N-methyl-2-[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 95759748
2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(2-propylpyrazol-3-yl)acetamide
CID 98153752
(2R,3R)-3-(4-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)butan-2-amine
CID 95286279
4-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzamide
CID 95287606
2-[2-hydroxyethyl(methyl)amino]-N-(2-propylpyrazol-3-yl)acetamide
CID 111123044
3-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide
CID 95614058
2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-pyridin-3-ylacetamide
CID 95345808
N-(2-butylpyrazol-3-yl)-2-chloroacetamide
CID 50987917

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-(2-propylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-(2-propylpyrazol-3-yl)acetamide (CID 98158163) is 2-[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-(2-propylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-(2-propylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-(2-propylpyrazol-3-yl)acetamide is CCCn1nccc1NC(=O)CN[C@@H](C)[C@H](C)n1cc(C)cn1.
What is the InChIKey of 2-[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-(2-propylpyrazol-3-yl)acetamide?
The InChIKey is KPAWHAMBJIAMFL-KBPBESRZSA-N. The full InChI is InChI=1S/C16H26N6O/c1-5-8-21-15(6-7-18-21)20-16(23)10-17-13(3)14(4)22-11-12(2)9-19-22/h6-7,9,11,13-14,17H,5,8,10H2,1-4H3,(H,20,23)/t13-,14-/m0/s1.
What are the key properties of 2-[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-(2-propylpyrazol-3-yl)acetamide?
2-[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-(2-propylpyrazol-3-yl)acetamide has a molecular weight of 318.43 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-(2-propylpyrazol-3-yl)acetamide is sourced from PubChem (CID 98158163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).