3-(2-methylpyrazol-3-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide

C13H22N4O — CID 74239729

IUPAC3-(2-methylpyrazol-3-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
SMILESCn1nccc1CCC(=O)NCC[C@@H]1CCCN1
InChIInChI=1S/C13H22N4O/c1-17-12(7-10-16-17)4-5-13(18)15-9-6-11-3-2-8-14-11/h7,10-11,14H,2-6,8-9H2,1H3,(H,15,18)/t11-/m0/s1
InChIKeyVXUDHAHLOHJHQH-NSHDSACASA-N
MW250.35 g/mol
LogP0.61
Rot. Bonds6

About 3-(2-methylpyrazol-3-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide

3-(2-methylpyrazol-3-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide (PubChem CID 74239729) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
PubChem CID74239729
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-(2-methylpyrazol-3-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
SMILESCn1nccc1CCC(=O)NCC[C@@H]1CCCN1
InChIInChI=1S/C13H22N4O/c1-17-12(7-10-16-17)4-5-13(18)15-9-6-11-3-2-8-14-11/h7,10-11,14H,2-6,8-9H2,1H3,(H,15,18)/t11-/m0/s1
InChIKeyVXUDHAHLOHJHQH-NSHDSACASA-N
XLogP0.61
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide (CID 74239729) is 3-(2-methylpyrazol-3-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide is Cn1nccc1CCC(=O)NCC[C@@H]1CCCN1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide?
The InChIKey is VXUDHAHLOHJHQH-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N4O/c1-17-12(7-10-16-17)4-5-13(18)15-9-6-11-3-2-8-14-11/h7,10-11,14H,2-6,8-9H2,1H3,(H,15,18)/t11-/m0/s1.
What are the key properties of 3-(2-methylpyrazol-3-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide?
3-(2-methylpyrazol-3-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide has a molecular weight of 250.35 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide is sourced from PubChem (CID 74239729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).