(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone

C13H20N4O — CID 55034216

IUPAC(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2n[nH]c(C3CC3)c2N)CC1
InChIInChI=1S/C13H20N4O/c1-8-4-6-17(7-5-8)13(18)12-10(14)11(15-16-12)9-2-3-9/h8-9H,2-7,14H2,1H3,(H,15,16)
InChIKeyUDYVWJSYVJTMQW-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.74
Rot. Bonds2

About (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone

(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 55034216) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID55034216
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2n[nH]c(C3CC3)c2N)CC1
InChIInChI=1S/C13H20N4O/c1-8-4-6-17(7-5-8)13(18)12-10(14)11(15-16-12)9-2-3-9/h8-9H,2-7,14H2,1H3,(H,15,16)
InChIKeyUDYVWJSYVJTMQW-UHFFFAOYSA-N
XLogP1.74
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 62075958
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114677536
4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione
CID 66083670
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211742
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102742694
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 62078266
(4-amino-5-methyl-1H-pyrazol-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 62081954
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 62204451
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-methylazepan-1-yl)methanone
CID 63624225
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114407510
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83217635
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107209753

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone (CID 55034216) is (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2n[nH]c(C3CC3)c2N)CC1.
What is the InChIKey of (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is UDYVWJSYVJTMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-8-4-6-17(7-5-8)13(18)12-10(14)11(15-16-12)9-2-3-9/h8-9H,2-7,14H2,1H3,(H,15,16).
What are the key properties of (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone?
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 55034216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).