N-[1-(5-amino-5-oxopentanoyl)pyrrolidin-3-yl]-N-ethyl-4-methyl-1H-pyrazole-5-carboxamide

C16H25N5O3 — CID 154797450

IUPACN-[1-(5-amino-5-oxopentanoyl)pyrrolidin-3-yl]-N-ethyl-4-methyl-1H-pyrazole-5-carboxamide
SMILESCCN(C(=O)c1[nH]ncc1C)C1CCN(C(=O)CCCC(N)=O)C1
InChIInChI=1S/C16H25N5O3/c1-3-21(16(24)15-11(2)9-18-19-15)12-7-8-20(10-12)14(23)6-4-5-13(17)22/h9,12H,3-8,10H2,1-2H3,(H2,17,22)(H,18,19)
InChIKeyPQWHLGWOAYQCJN-UHFFFAOYSA-N
MW335.41 g/mol
LogP0.44
Rot. Bonds7

About N-[1-(5-amino-5-oxopentanoyl)pyrrolidin-3-yl]-N-ethyl-4-methyl-1H-pyrazole-5-carboxamide

N-[1-(5-amino-5-oxopentanoyl)pyrrolidin-3-yl]-N-ethyl-4-methyl-1H-pyrazole-5-carboxamide (PubChem CID 154797450) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[1-(5-amino-5-oxopentanoyl)pyrrolidin-3-yl]-N-ethyl-4-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(5-amino-5-oxopentanoyl)pyrrolidin-3-yl]-N-ethyl-4-methyl-1H-pyrazole-5-carboxamide
PubChem CID154797450
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC NameN-[1-(5-amino-5-oxopentanoyl)pyrrolidin-3-yl]-N-ethyl-4-methyl-1H-pyrazole-5-carboxamide
SMILESCCN(C(=O)c1[nH]ncc1C)C1CCN(C(=O)CCCC(N)=O)C1
InChIInChI=1S/C16H25N5O3/c1-3-21(16(24)15-11(2)9-18-19-15)12-7-8-20(10-12)14(23)6-4-5-13(17)22/h9,12H,3-8,10H2,1-2H3,(H2,17,22)(H,18,19)
InChIKeyPQWHLGWOAYQCJN-UHFFFAOYSA-N
XLogP0.44
TPSA112.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-amino-5-oxopentanoyl)pyrrolidin-3-yl]-N-ethyl-4-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(5-amino-5-oxopentanoyl)pyrrolidin-3-yl]-N-ethyl-4-methyl-1H-pyrazole-5-carboxamide (CID 154797450) is N-[1-(5-amino-5-oxopentanoyl)pyrrolidin-3-yl]-N-ethyl-4-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(5-amino-5-oxopentanoyl)pyrrolidin-3-yl]-N-ethyl-4-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(5-amino-5-oxopentanoyl)pyrrolidin-3-yl]-N-ethyl-4-methyl-1H-pyrazole-5-carboxamide is CCN(C(=O)c1[nH]ncc1C)C1CCN(C(=O)CCCC(N)=O)C1.
What is the InChIKey of N-[1-(5-amino-5-oxopentanoyl)pyrrolidin-3-yl]-N-ethyl-4-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is PQWHLGWOAYQCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-3-21(16(24)15-11(2)9-18-19-15)12-7-8-20(10-12)14(23)6-4-5-13(17)22/h9,12H,3-8,10H2,1-2H3,(H2,17,22)(H,18,19).
What are the key properties of N-[1-(5-amino-5-oxopentanoyl)pyrrolidin-3-yl]-N-ethyl-4-methyl-1H-pyrazole-5-carboxamide?
N-[1-(5-amino-5-oxopentanoyl)pyrrolidin-3-yl]-N-ethyl-4-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-amino-5-oxopentanoyl)pyrrolidin-3-yl]-N-ethyl-4-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 154797450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).