(4-amino-1H-pyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone

C13H21N5O — CID 63102325

IUPAC(4-amino-1H-pyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESNc1cn[nH]c1C(=O)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C13H21N5O/c14-11-8-15-16-12(11)13(19)18-7-3-4-10(9-18)17-5-1-2-6-17/h8,10H,1-7,9,14H2,(H,15,16)
InChIKeyOSBADESXZSVXMX-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.69
Rot. Bonds2

About (4-amino-1H-pyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone

(4-amino-1H-pyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 63102325) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is (4-amino-1H-pyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1H-pyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID63102325
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name(4-amino-1H-pyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESNc1cn[nH]c1C(=O)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C13H21N5O/c14-11-8-15-16-12(11)13(19)18-7-3-4-10(9-18)17-5-1-2-6-17/h8,10H,1-7,9,14H2,(H,15,16)
InChIKeyOSBADESXZSVXMX-UHFFFAOYSA-N
XLogP0.69
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1H-pyrazol-5-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63168261
(5-amino-1H-pyrazol-4-yl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 63155138
(4-amino-1H-pyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63605171
(4-amino-1H-pyrazol-5-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954850
(4-amino-1H-pyrazol-5-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796663
(4-amino-1H-pyrazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112623776
(2-amino-6-chlorophenyl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 63658829
(3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63049254
(4-amino-1,2,5-oxadiazol-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 62687633
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(3,5-dichloro-1H-indol-2-yl)methanone
CID 49222808
(4-bromo-1H-pyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 56725958
[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 70731737

Frequently Asked Questions

What is the IUPAC name of (4-amino-1H-pyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-1H-pyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 63102325) is (4-amino-1H-pyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1H-pyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-1H-pyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone is Nc1cn[nH]c1C(=O)N1CCCC(N2CCCC2)C1.
What is the InChIKey of (4-amino-1H-pyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is OSBADESXZSVXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c14-11-8-15-16-12(11)13(19)18-7-3-4-10(9-18)17-5-1-2-6-17/h8,10H,1-7,9,14H2,(H,15,16).
What are the key properties of (4-amino-1H-pyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
(4-amino-1H-pyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1H-pyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 63102325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).