(3-amino-1H-pyrazol-5-yl)-(4,4-dimethylazepan-1-yl)methanone

C12H20N4O — CID 65283705

IUPAC(3-amino-1H-pyrazol-5-yl)-(4,4-dimethylazepan-1-yl)methanone
SMILESCC1(C)CCCN(C(=O)c2cc(N)n[nH]2)CC1
InChIInChI=1S/C12H20N4O/c1-12(2)4-3-6-16(7-5-12)11(17)9-8-10(13)15-14-9/h8H,3-7H2,1-2H3,(H3,13,14,15)
InChIKeyLRXDTWJXUXLINE-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.64
Rot. Bonds1

About (3-amino-1H-pyrazol-5-yl)-(4,4-dimethylazepan-1-yl)methanone

(3-amino-1H-pyrazol-5-yl)-(4,4-dimethylazepan-1-yl)methanone (PubChem CID 65283705) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (3-amino-1H-pyrazol-5-yl)-(4,4-dimethylazepan-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-1H-pyrazol-5-yl)-(4,4-dimethylazepan-1-yl)methanone
PubChem CID65283705
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(3-amino-1H-pyrazol-5-yl)-(4,4-dimethylazepan-1-yl)methanone
SMILESCC1(C)CCCN(C(=O)c2cc(N)n[nH]2)CC1
InChIInChI=1S/C12H20N4O/c1-12(2)4-3-6-16(7-5-12)11(17)9-8-10(13)15-14-9/h8H,3-7H2,1-2H3,(H3,13,14,15)
InChIKeyLRXDTWJXUXLINE-UHFFFAOYSA-N
XLogP1.64
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-1H-pyrazol-5-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 56741023
(3-amino-1H-pyrazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 64526002
(3-amino-1H-pyrazol-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 64526017
2-[4-(3-amino-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 64523296
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
(4,4-dimethylazepan-1-yl)-(2H-triazol-4-yl)methanone
CID 79005614
5-(4,4-dimethylazepane-1-carbonyl)-1H-pyrrole-3-sulfonyl chloride
CID 65366942
(4-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283849
(5-amino-1H-pyrazol-4-yl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62932404
(3-amino-1H-pyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107210730
(3-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride
CID 119803719

Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-pyrazol-5-yl)-(4,4-dimethylazepan-1-yl)methanone?
The IUPAC name of (3-amino-1H-pyrazol-5-yl)-(4,4-dimethylazepan-1-yl)methanone (CID 65283705) is (3-amino-1H-pyrazol-5-yl)-(4,4-dimethylazepan-1-yl)methanone.
What is the SMILES notation for (3-amino-1H-pyrazol-5-yl)-(4,4-dimethylazepan-1-yl)methanone?
The canonical SMILES for (3-amino-1H-pyrazol-5-yl)-(4,4-dimethylazepan-1-yl)methanone is CC1(C)CCCN(C(=O)c2cc(N)n[nH]2)CC1.
What is the InChIKey of (3-amino-1H-pyrazol-5-yl)-(4,4-dimethylazepan-1-yl)methanone?
The InChIKey is LRXDTWJXUXLINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-12(2)4-3-6-16(7-5-12)11(17)9-8-10(13)15-14-9/h8H,3-7H2,1-2H3,(H3,13,14,15).
What are the key properties of (3-amino-1H-pyrazol-5-yl)-(4,4-dimethylazepan-1-yl)methanone?
(3-amino-1H-pyrazol-5-yl)-(4,4-dimethylazepan-1-yl)methanone has a molecular weight of 236.32 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1H-pyrazol-5-yl)-(4,4-dimethylazepan-1-yl)methanone is sourced from PubChem (CID 65283705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).