5-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pentanamide

C12H22N4O — CID 79237251

IUPAC5-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pentanamide
SMILESCc1nn(C)c(C)c1CNC(=O)CCCCN
InChIInChI=1S/C12H22N4O/c1-9-11(10(2)16(3)15-9)8-14-12(17)6-4-5-7-13/h4-8,13H2,1-3H3,(H,14,17)
InChIKeyKSMAERLCDPXHST-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.78
Rot. Bonds6

About 5-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pentanamide

5-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pentanamide (PubChem CID 79237251) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pentanamide.

Molecular Properties

Compound Name5-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pentanamide
PubChem CID79237251
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pentanamide
SMILESCc1nn(C)c(C)c1CNC(=O)CCCCN
InChIInChI=1S/C12H22N4O/c1-9-11(10(2)16(3)15-9)8-14-12(17)6-4-5-7-13/h4-8,13H2,1-3H3,(H,14,17)
InChIKeyKSMAERLCDPXHST-UHFFFAOYSA-N
XLogP0.78
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide;hydrochloride
CID 119725168
2-sulfanyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 79237772
3-(tert-butylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 79236452
3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 110460217
methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 110731133
7-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]heptanamide
CID 119888511
(2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 79236660
N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pentanamide
CID 86930102
3-[4-(dimethylamino)phenyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 110441139
N-(pyridin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47134470
4-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]butanamide;hydrochloride
CID 119731648
N-[(4-chlorophenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41360467

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pentanamide?
The IUPAC name of 5-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pentanamide (CID 79237251) is 5-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pentanamide.
What is the SMILES notation for 5-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pentanamide?
The canonical SMILES for 5-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pentanamide is Cc1nn(C)c(C)c1CNC(=O)CCCCN.
What is the InChIKey of 5-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pentanamide?
The InChIKey is KSMAERLCDPXHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9-11(10(2)16(3)15-9)8-14-12(17)6-4-5-7-13/h4-8,13H2,1-3H3,(H,14,17).
What are the key properties of 5-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pentanamide?
5-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pentanamide has a molecular weight of 238.33 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pentanamide is sourced from PubChem (CID 79237251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).