2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C16H24N6O — CID 95569857

IUPAC2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CN1CCC[C@H]1c1cnn(C)c1
InChIInChI=1S/C16H24N6O/c1-11-16(12(2)21(4)19-11)18-15(23)10-22-7-5-6-14(22)13-8-17-20(3)9-13/h8-9,14H,5-7,10H2,1-4H3,(H,18,23)/t14-/m0/s1
InChIKeySBABUYNSRANVQQ-AWEZNQCLSA-N
MW316.41 g/mol
LogP1.55
Rot. Bonds4

About 2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 95569857) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID95569857
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CN1CCC[C@H]1c1cnn(C)c1
InChIInChI=1S/C16H24N6O/c1-11-16(12(2)21(4)19-11)18-15(23)10-22-7-5-6-14(22)13-8-17-20(3)9-13/h8-9,14H,5-7,10H2,1-4H3,(H,18,23)/t14-/m0/s1
InChIKeySBABUYNSRANVQQ-AWEZNQCLSA-N
XLogP1.55
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 95569810
N-(2-methylpropyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95346557
2-(2-methylpiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51223569
N-(dicyclopropylmethyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95318433
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride
CID 119928363
N,N-dimethyl-1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]pyrrolidine-2-carboxamide
CID 134031692
N-(1-cyclopropylpiperidin-4-yl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95348862
2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 17401356
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propanamide
CID 95569827
N-(3-cyanothiophen-2-yl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95569836
2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 56801201
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95757763

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 95569857) is 2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@H]1c1cnn(C)c1.
What is the InChIKey of 2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is SBABUYNSRANVQQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N6O/c1-11-16(12(2)21(4)19-11)18-15(23)10-22-7-5-6-14(22)13-8-17-20(3)9-13/h8-9,14H,5-7,10H2,1-4H3,(H,18,23)/t14-/m0/s1.
What are the key properties of 2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 316.41 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 95569857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).