4-[1-(1-ethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide

C17H27N5O2 — CID 91921477

IUPAC4-[1-(1-ethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCCn1cc(C(=O)N2CCC(C3CCN(C(=O)NC)CC3)C2)cn1
InChIInChI=1S/C17H27N5O2/c1-3-22-12-15(10-19-22)16(23)21-9-6-14(11-21)13-4-7-20(8-5-13)17(24)18-2/h10,12-14H,3-9,11H2,1-2H3,(H,18,24)
InChIKeyOBBNPOIEUHGQQI-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.42
Rot. Bonds3

About 4-[1-(1-ethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide

4-[1-(1-ethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide (PubChem CID 91921477) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-[1-(1-ethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(1-ethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
PubChem CID91921477
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name4-[1-(1-ethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCCn1cc(C(=O)N2CCC(C3CCN(C(=O)NC)CC3)C2)cn1
InChIInChI=1S/C17H27N5O2/c1-3-22-12-15(10-19-22)16(23)21-9-6-14(11-21)13-4-7-20(8-5-13)17(24)18-2/h10,12-14H,3-9,11H2,1-2H3,(H,18,24)
InChIKeyOBBNPOIEUHGQQI-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-ethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[1-(1-ethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide (CID 91921477) is 4-[1-(1-ethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(1-ethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[1-(1-ethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide is CCn1cc(C(=O)N2CCC(C3CCN(C(=O)NC)CC3)C2)cn1.
What is the InChIKey of 4-[1-(1-ethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The InChIKey is OBBNPOIEUHGQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-3-22-12-15(10-19-22)16(23)21-9-6-14(11-21)13-4-7-20(8-5-13)17(24)18-2/h10,12-14H,3-9,11H2,1-2H3,(H,18,24).
What are the key properties of 4-[1-(1-ethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
4-[1-(1-ethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-ethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 91921477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).