2-[(2S)-2-methylpyrrolidin-1-yl]-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]acetamide

C14H23N5O — CID 129341941

IUPAC2-[(2S)-2-methylpyrrolidin-1-yl]-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESC[C@H]1CCCN1CC(=O)Nc1ccn([C@@H]2CCNC2)n1
InChIInChI=1S/C14H23N5O/c1-11-3-2-7-18(11)10-14(20)16-13-5-8-19(17-13)12-4-6-15-9-12/h5,8,11-12,15H,2-4,6-7,9-10H2,1H3,(H,16,17,20)/t11-,12+/m0/s1
InChIKeyZNZCWHORRMNVQG-NWDGAFQWSA-N
MW277.37 g/mol
LogP0.84
Rot. Bonds4

About 2-[(2S)-2-methylpyrrolidin-1-yl]-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]acetamide

2-[(2S)-2-methylpyrrolidin-1-yl]-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]acetamide (PubChem CID 129341941) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[(2S)-2-methylpyrrolidin-1-yl]-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-methylpyrrolidin-1-yl]-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]acetamide
PubChem CID129341941
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-[(2S)-2-methylpyrrolidin-1-yl]-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESC[C@H]1CCCN1CC(=O)Nc1ccn([C@@H]2CCNC2)n1
InChIInChI=1S/C14H23N5O/c1-11-3-2-7-18(11)10-14(20)16-13-5-8-19(17-13)12-4-6-15-9-12/h5,8,11-12,15H,2-4,6-7,9-10H2,1H3,(H,16,17,20)/t11-,12+/m0/s1
InChIKeyZNZCWHORRMNVQG-NWDGAFQWSA-N
XLogP0.84
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methylpyrrolidin-1-yl]-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-[(2S)-2-methylpyrrolidin-1-yl]-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]acetamide (CID 129341941) is 2-[(2S)-2-methylpyrrolidin-1-yl]-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[(2S)-2-methylpyrrolidin-1-yl]-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-[(2S)-2-methylpyrrolidin-1-yl]-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]acetamide is C[C@H]1CCCN1CC(=O)Nc1ccn([C@@H]2CCNC2)n1.
What is the InChIKey of 2-[(2S)-2-methylpyrrolidin-1-yl]-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The InChIKey is ZNZCWHORRMNVQG-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H23N5O/c1-11-3-2-7-18(11)10-14(20)16-13-5-8-19(17-13)12-4-6-15-9-12/h5,8,11-12,15H,2-4,6-7,9-10H2,1H3,(H,16,17,20)/t11-,12+/m0/s1.
What are the key properties of 2-[(2S)-2-methylpyrrolidin-1-yl]-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
2-[(2S)-2-methylpyrrolidin-1-yl]-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methylpyrrolidin-1-yl]-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 129341941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).