[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(4,4-dimethylazepan-1-yl)methanone

C16H28N4O — CID 65283209

IUPAC[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(4,4-dimethylazepan-1-yl)methanone
SMILESCc1c(C(=O)N2CCCC(C)(C)CC2)cnn1CCCN
InChIInChI=1S/C16H28N4O/c1-13-14(12-18-20(13)10-5-8-17)15(21)19-9-4-6-16(2,3)7-11-19/h12H,4-11,17H2,1-3H3
InChIKeyYDZIMGBCPGWPJG-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.19
Rot. Bonds4

About [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(4,4-dimethylazepan-1-yl)methanone

[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(4,4-dimethylazepan-1-yl)methanone (PubChem CID 65283209) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(4,4-dimethylazepan-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(4,4-dimethylazepan-1-yl)methanone
PubChem CID65283209
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(4,4-dimethylazepan-1-yl)methanone
SMILESCc1c(C(=O)N2CCCC(C)(C)CC2)cnn1CCCN
InChIInChI=1S/C16H28N4O/c1-13-14(12-18-20(13)10-5-8-17)15(21)19-9-4-6-16(2,3)7-11-19/h12H,4-11,17H2,1-3H3
InChIKeyYDZIMGBCPGWPJG-UHFFFAOYSA-N
XLogP2.19
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62988630
[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107211825
[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104957671
[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62885886
[2-(2-aminoethyl)phenyl]-(4,4-dimethylazepan-1-yl)methanone
CID 65280889
(4-chloro-2-hydroxyphenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65282816
4-[1-(3-aminopropyl)-5-methylpyrazole-4-carbonyl]-3-methylpiperazin-2-one
CID 63596109
(4,4-dimethylazepan-1-yl)-(2H-triazol-4-yl)methanone
CID 79005614
1-(3-aminopropyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylpyrazole-4-carboxamide
CID 107860485
2-cyclopropyl-8-(5-methyl-1-propylpyrazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70744895
1-(3-fluoropropyl)-5-methylpyrazole-4-carboxylic acid
CID 81113615
[4-(5-methyl-1-propylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone
CID 137339717

Frequently Asked Questions

What is the IUPAC name of [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(4,4-dimethylazepan-1-yl)methanone?
The IUPAC name of [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(4,4-dimethylazepan-1-yl)methanone (CID 65283209) is [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(4,4-dimethylazepan-1-yl)methanone.
What is the SMILES notation for [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(4,4-dimethylazepan-1-yl)methanone?
The canonical SMILES for [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(4,4-dimethylazepan-1-yl)methanone is Cc1c(C(=O)N2CCCC(C)(C)CC2)cnn1CCCN.
What is the InChIKey of [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(4,4-dimethylazepan-1-yl)methanone?
The InChIKey is YDZIMGBCPGWPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-13-14(12-18-20(13)10-5-8-17)15(21)19-9-4-6-16(2,3)7-11-19/h12H,4-11,17H2,1-3H3.
What are the key properties of [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(4,4-dimethylazepan-1-yl)methanone?
[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(4,4-dimethylazepan-1-yl)methanone has a molecular weight of 292.43 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(4,4-dimethylazepan-1-yl)methanone is sourced from PubChem (CID 65283209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).