(4-amino-5-propyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

C13H22N4O2 — CID 62077251

IUPAC(4-amino-5-propyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCCc1[nH]nc(C(=O)N2CCCCC2CO)c1N
InChIInChI=1S/C13H22N4O2/c1-2-5-10-11(14)12(16-15-10)13(19)17-7-4-3-6-9(17)8-18/h9,18H,2-8,14H2,1H3,(H,15,16)
InChIKeyXKVXMNRESMJRHB-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.93
Rot. Bonds4

About (4-amino-5-propyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

(4-amino-5-propyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 62077251) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (4-amino-5-propyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-5-propyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID62077251
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(4-amino-5-propyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCCc1[nH]nc(C(=O)N2CCCCC2CO)c1N
InChIInChI=1S/C13H22N4O2/c1-2-5-10-11(14)12(16-15-10)13(19)17-7-4-3-6-9(17)8-18/h9,18H,2-8,14H2,1H3,(H,15,16)
InChIKeyXKVXMNRESMJRHB-UHFFFAOYSA-N
XLogP0.93
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633830
1-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 62075159
methyl 1-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylate
CID 62076260
(3-amino-1H-1,2,4-triazol-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 62806655
1-[4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 62075601
5-ethyl-3-(2-ethylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide
CID 65386781
(4-amino-5-propyl-1H-pyrazol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 62075457
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone
CID 82746456
1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxamide
CID 62082683
methyl 4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylate
CID 104774373
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 79028325
4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione
CID 66084844

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-propyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-amino-5-propyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (CID 62077251) is (4-amino-5-propyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-5-propyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-amino-5-propyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is CCCc1[nH]nc(C(=O)N2CCCCC2CO)c1N.
What is the InChIKey of (4-amino-5-propyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is XKVXMNRESMJRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-2-5-10-11(14)12(16-15-10)13(19)17-7-4-3-6-9(17)8-18/h9,18H,2-8,14H2,1H3,(H,15,16).
What are the key properties of (4-amino-5-propyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
(4-amino-5-propyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 266.34 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-propyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 62077251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).