(4-amino-1-methylpyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

C11H18N4O2 — CID 65354873

IUPAC(4-amino-1-methylpyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCn1cc(N)c(C(=O)N2CCCC(CO)C2)n1
InChIInChI=1S/C11H18N4O2/c1-14-6-9(12)10(13-14)11(17)15-4-2-3-8(5-15)7-16/h6,8,16H,2-5,7,12H2,1H3
InChIKeyKXHUUJYKUYTKHT-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.15
Rot. Bonds2

About (4-amino-1-methylpyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

(4-amino-1-methylpyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 65354873) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (4-amino-1-methylpyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1-methylpyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID65354873
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name(4-amino-1-methylpyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCn1cc(N)c(C(=O)N2CCCC(CO)C2)n1
InChIInChI=1S/C11H18N4O2/c1-14-6-9(12)10(13-14)11(17)15-4-2-3-8(5-15)7-16/h6,8,16H,2-5,7,12H2,1H3
InChIKeyKXHUUJYKUYTKHT-UHFFFAOYSA-N
XLogP-0.15
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-1-methylpyrazol-3-yl)-(azocan-1-yl)methanone
CID 65354711
(4-amino-1-methylpyrazol-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107209806
(4-amino-1-methylpyrazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 65353954
(4-amino-1-methylpyrazol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 65354702
(4-amino-1-methylpyrazol-3-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 65354317
(4-amino-1-methylpyrazol-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633791
(4-amino-1-propylpyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 132586470
(4-amino-1-methylpyrazol-3-yl)-(2-ethylmorpholin-4-yl)methanone
CID 65354771
(5-amino-2,4-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 102705090
(4-amino-5-ethyl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62083228
(4-amino-1-methylpyrazol-3-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 65355642
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-1-methylpyrazol-3-yl)methanone
CID 65355991

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylpyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-amino-1-methylpyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 65354873) is (4-amino-1-methylpyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-1-methylpyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-amino-1-methylpyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is Cn1cc(N)c(C(=O)N2CCCC(CO)C2)n1.
What is the InChIKey of (4-amino-1-methylpyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is KXHUUJYKUYTKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-14-6-9(12)10(13-14)11(17)15-4-2-3-8(5-15)7-16/h6,8,16H,2-5,7,12H2,1H3.
What are the key properties of (4-amino-1-methylpyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
(4-amino-1-methylpyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 238.29 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methylpyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 65354873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).