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

C11H18N4O2 — CID 62083169

IUPAC(4-amino-5-methyl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1[nH]nc(C(=O)N2CCCC(CO)C2)c1N
InChIInChI=1S/C11H18N4O2/c1-7-9(12)10(14-13-7)11(17)15-4-2-3-8(5-15)6-16/h8,16H,2-6,12H2,1H3,(H,13,14)
InChIKeyVCFLYEHACXXJIN-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.14
Rot. Bonds2

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

(4-amino-5-methyl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 62083169) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (4-amino-5-methyl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-5-methyl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID62083169
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name(4-amino-5-methyl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1[nH]nc(C(=O)N2CCCC(CO)C2)c1N
InChIInChI=1S/C11H18N4O2/c1-7-9(12)10(14-13-7)11(17)15-4-2-3-8(5-15)6-16/h8,16H,2-6,12H2,1H3,(H,13,14)
InChIKeyVCFLYEHACXXJIN-UHFFFAOYSA-N
XLogP0.14
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-5-methyl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-amino-5-methyl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 62083169) is (4-amino-5-methyl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-5-methyl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-amino-5-methyl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is Cc1[nH]nc(C(=O)N2CCCC(CO)C2)c1N.
What is the InChIKey of (4-amino-5-methyl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is VCFLYEHACXXJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7-9(12)10(14-13-7)11(17)15-4-2-3-8(5-15)6-16/h8,16H,2-6,12H2,1H3,(H,13,14).
What are the key properties of (4-amino-5-methyl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
(4-amino-5-methyl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 238.29 g/mol, XLogP of 0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-methyl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 62083169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).