2-(4-methylpyrazol-1-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide

C17H27N5O2 — CID 118782029

IUPAC2-(4-methylpyrazol-1-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide
SMILESCc1cnn(C(C)C(=O)NC2CCN(C(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C17H27N5O2/c1-13-11-18-22(12-13)14(2)16(23)19-15-5-9-21(10-6-15)17(24)20-7-3-4-8-20/h11-12,14-15H,3-10H2,1-2H3,(H,19,23)
InChIKeyDPJJCIXPTDTHMS-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.55
Rot. Bonds3

About 2-(4-methylpyrazol-1-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide

2-(4-methylpyrazol-1-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide (PubChem CID 118782029) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide
PubChem CID118782029
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name2-(4-methylpyrazol-1-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide
SMILESCc1cnn(C(C)C(=O)NC2CCN(C(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C17H27N5O2/c1-13-11-18-22(12-13)14(2)16(23)19-15-5-9-21(10-6-15)17(24)20-7-3-4-8-20/h11-12,14-15H,3-10H2,1-2H3,(H,19,23)
InChIKeyDPJJCIXPTDTHMS-UHFFFAOYSA-N
XLogP1.55
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-(4-methylpyrazol-1-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide (CID 118782029) is 2-(4-methylpyrazol-1-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide is Cc1cnn(C(C)C(=O)NC2CCN(C(=O)N3CCCC3)CC2)c1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is DPJJCIXPTDTHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-13-11-18-22(12-13)14(2)16(23)19-15-5-9-21(10-6-15)17(24)20-7-3-4-8-20/h11-12,14-15H,3-10H2,1-2H3,(H,19,23).
What are the key properties of 2-(4-methylpyrazol-1-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide?
2-(4-methylpyrazol-1-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 333.44 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 118782029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).