1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid

C14H20N4O3 — CID 61019766

IUPAC1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C14H20N4O3/c19-13(10-8-15-16-9-10)17-6-3-11(4-7-17)18-5-1-2-12(18)14(20)21/h8-9,11-12H,1-7H2,(H,15,16)(H,20,21)
InChIKeySITWYZZBJFFILD-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.56
Rot. Bonds3

About 1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid

1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (PubChem CID 61019766) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
PubChem CID61019766
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C14H20N4O3/c19-13(10-8-15-16-9-10)17-6-3-11(4-7-17)18-5-1-2-12(18)14(20)21/h8-9,11-12H,1-7H2,(H,15,16)(H,20,21)
InChIKeySITWYZZBJFFILD-UHFFFAOYSA-N
XLogP0.56
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 43565591
[(2S)-1-methylpyrrolidin-2-yl]-[4-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]methanone
CID 155496109
(4-chloropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 63390634
1-(1H-pyrazole-4-carbonyl)piperidine-2-carboxylic acid
CID 43565596
azetidin-1-yl(1H-pyrazol-4-yl)methanone
CID 130157927
[4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 43582926
1H-pyrazol-4-yl-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 54877453
5-methyl-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 74228216
(3-phenylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 62069692
[4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63250783
[4-(1-aminoethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63595151
(3-morpholin-4-ylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 63174828

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (CID 61019766) is 1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C1CCN(C(=O)c2cn[nH]c2)CC1.
What is the InChIKey of 1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is SITWYZZBJFFILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c19-13(10-8-15-16-9-10)17-6-3-11(4-7-17)18-5-1-2-12(18)14(20)21/h8-9,11-12H,1-7H2,(H,15,16)(H,20,21).
What are the key properties of 1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61019766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).