(3R,5S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

C17H27N5O2 — CID 72929092

IUPAC(3R,5S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESCc1cc(CNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCCC3)C2)n(C)n1
InChIInChI=1S/C17H27N5O2/c1-12-7-15(21(2)20-12)11-19-16(23)13-8-14(10-18-9-13)17(24)22-5-3-4-6-22/h7,13-14,18H,3-6,8-11H2,1-2H3,(H,19,23)/t13-,14+/m1/s1
InChIKeyJUFBMNVPWNWMSC-KGLIPLIRSA-N
MW333.44 g/mol
LogP0.19
Rot. Bonds4

About (3R,5S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

(3R,5S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (PubChem CID 72929092) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is (3R,5S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
PubChem CID72929092
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name(3R,5S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESCc1cc(CNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCCC3)C2)n(C)n1
InChIInChI=1S/C17H27N5O2/c1-12-7-15(21(2)20-12)11-19-16(23)13-8-14(10-18-9-13)17(24)22-5-3-4-6-22/h7,13-14,18H,3-6,8-11H2,1-2H3,(H,19,23)/t13-,14+/m1/s1
InChIKeyJUFBMNVPWNWMSC-KGLIPLIRSA-N
XLogP0.19
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (CID 72929092) is (3R,5S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is Cc1cc(CNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCCC3)C2)n(C)n1.
What is the InChIKey of (3R,5S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is JUFBMNVPWNWMSC-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-12-7-15(21(2)20-12)11-19-16(23)13-8-14(10-18-9-13)17(24)22-5-3-4-6-22/h7,13-14,18H,3-6,8-11H2,1-2H3,(H,19,23)/t13-,14+/m1/s1.
What are the key properties of (3R,5S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
(3R,5S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 72929092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).