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

C13H23N5O — CID 64526017

IUPAC(3-amino-1H-pyrazol-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2cc(N)n[nH]2)CC1
InChIInChI=1S/C13H23N5O/c1-3-17(4-2)10-5-7-18(8-6-10)13(19)11-9-12(14)16-15-11/h9-10H,3-8H2,1-2H3,(H3,14,15,16)
InChIKeyGLWJYYXSGBCYTM-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.94
Rot. Bonds4

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

(3-amino-1H-pyrazol-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone (PubChem CID 64526017) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is (3-amino-1H-pyrazol-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-1H-pyrazol-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone
PubChem CID64526017
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name(3-amino-1H-pyrazol-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2cc(N)n[nH]2)CC1
InChIInChI=1S/C13H23N5O/c1-3-17(4-2)10-5-7-18(8-6-10)13(19)11-9-12(14)16-15-11/h9-10H,3-8H2,1-2H3,(H3,14,15,16)
InChIKeyGLWJYYXSGBCYTM-UHFFFAOYSA-N
XLogP0.94
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-1H-pyrazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 64526002
(3-amino-1H-pyrazol-5-yl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283705
(3-amino-1H-pyrazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 64523295
2-[4-(3-amino-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 64523096
[4-(3-amino-1H-pyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 46987862
(4-amino-1-methylpyrazol-3-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 65354317
(3-amino-1H-pyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107210730
(3-amino-1H-pyrazol-5-yl)-[4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 72904810
3-amino-N-cyclopropyl-N-propyl-1H-pyrazole-5-carboxamide
CID 64524026
2-[4-(3-amino-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 64523296
3-[1-(3-amino-1H-pyrazole-5-carbonyl)piperidin-4-yl]-4-benzyl-1H-1,2,4-triazol-5-one
CID 56703305
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-amino-1H-pyrazol-5-yl)methanone
CID 64524820

Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-pyrazol-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone?
The IUPAC name of (3-amino-1H-pyrazol-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone (CID 64526017) is (3-amino-1H-pyrazol-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-1H-pyrazol-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (3-amino-1H-pyrazol-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone is CCN(CC)C1CCN(C(=O)c2cc(N)n[nH]2)CC1.
What is the InChIKey of (3-amino-1H-pyrazol-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone?
The InChIKey is GLWJYYXSGBCYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-3-17(4-2)10-5-7-18(8-6-10)13(19)11-9-12(14)16-15-11/h9-10H,3-8H2,1-2H3,(H3,14,15,16).
What are the key properties of (3-amino-1H-pyrazol-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone?
(3-amino-1H-pyrazol-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone has a molecular weight of 265.36 g/mol, XLogP of 0.94, 4 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-(diethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 64526017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).