3-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylhexanamide

C14H26N4O — CID 112669544

IUPAC3-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylhexanamide
SMILESCc1nn(C)cc1CNC(=O)CC(CN)CC(C)C
InChIInChI=1S/C14H26N4O/c1-10(2)5-12(7-15)6-14(19)16-8-13-9-18(4)17-11(13)3/h9-10,12H,5-8,15H2,1-4H3,(H,16,19)
InChIKeyDGHIPTOEWZJDSF-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.36
Rot. Bonds7

About 3-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylhexanamide

3-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylhexanamide (PubChem CID 112669544) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylhexanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylhexanamide
PubChem CID112669544
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name3-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylhexanamide
SMILESCc1nn(C)cc1CNC(=O)CC(CN)CC(C)C
InChIInChI=1S/C14H26N4O/c1-10(2)5-12(7-15)6-14(19)16-8-13-9-18(4)17-11(13)3/h9-10,12H,5-8,15H2,1-4H3,(H,16,19)
InChIKeyDGHIPTOEWZJDSF-UHFFFAOYSA-N
XLogP1.36
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide
CID 82882413
2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide
CID 112668706
2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 115991283
(3S)-3-(aminomethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide
CID 106104964
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548
N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide
CID 42352342
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 19288393
2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
CID 112668170
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxypentanamide
CID 112672114
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
CID 19519400
5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide
CID 112668674
3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-hydroxyimino-2-methylpropanamide
CID 113358295

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylhexanamide?
The IUPAC name of 3-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylhexanamide (CID 112669544) is 3-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylhexanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylhexanamide?
The canonical SMILES for 3-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylhexanamide is Cc1nn(C)cc1CNC(=O)CC(CN)CC(C)C.
What is the InChIKey of 3-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylhexanamide?
The InChIKey is DGHIPTOEWZJDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-10(2)5-12(7-15)6-14(19)16-8-13-9-18(4)17-11(13)3/h9-10,12H,5-8,15H2,1-4H3,(H,16,19).
What are the key properties of 3-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylhexanamide?
3-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylhexanamide has a molecular weight of 266.39 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylhexanamide is sourced from PubChem (CID 112669544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).