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

C11H19N5O — CID 64523442

IUPAC(3-amino-1H-pyrazol-5-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2cc(N)n[nH]2)CC1
InChIInChI=1S/C11H19N5O/c1-15(2)8-3-5-16(6-4-8)11(17)9-7-10(12)14-13-9/h7-8H,3-6H2,1-2H3,(H3,12,13,14)
InChIKeyQUIHTYDUFRUPKF-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.16
Rot. Bonds2

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

(3-amino-1H-pyrazol-5-yl)-[4-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 64523442) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is (3-amino-1H-pyrazol-5-yl)-[4-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-1H-pyrazol-5-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
PubChem CID64523442
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name(3-amino-1H-pyrazol-5-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2cc(N)n[nH]2)CC1
InChIInChI=1S/C11H19N5O/c1-15(2)8-3-5-16(6-4-8)11(17)9-7-10(12)14-13-9/h7-8H,3-6H2,1-2H3,(H3,12,13,14)
InChIKeyQUIHTYDUFRUPKF-UHFFFAOYSA-N
XLogP0.16
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-pyrazol-5-yl)-[4-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of (3-amino-1H-pyrazol-5-yl)-[4-(dimethylamino)piperidin-1-yl]methanone (CID 64523442) is (3-amino-1H-pyrazol-5-yl)-[4-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-1H-pyrazol-5-yl)-[4-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (3-amino-1H-pyrazol-5-yl)-[4-(dimethylamino)piperidin-1-yl]methanone is CN(C)C1CCN(C(=O)c2cc(N)n[nH]2)CC1.
What is the InChIKey of (3-amino-1H-pyrazol-5-yl)-[4-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is QUIHTYDUFRUPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-15(2)8-3-5-16(6-4-8)11(17)9-7-10(12)14-13-9/h7-8H,3-6H2,1-2H3,(H3,12,13,14).
What are the key properties of (3-amino-1H-pyrazol-5-yl)-[4-(dimethylamino)piperidin-1-yl]methanone?
(3-amino-1H-pyrazol-5-yl)-[4-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 237.31 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1H-pyrazol-5-yl)-[4-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 64523442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).