1-(3-aminopropyl)-5-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-carboxamide

C13H24N4O2 — CID 104758377

IUPAC1-(3-aminopropyl)-5-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCOC(C)C)cnn1CCCN
InChIInChI=1S/C13H24N4O2/c1-10(2)19-8-6-15-13(18)12-9-16-17(11(12)3)7-4-5-14/h9-10H,4-8,14H2,1-3H3,(H,15,18)
InChIKeyXWNFMPJIHVYKGV-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.70
Rot. Bonds8

About 1-(3-aminopropyl)-5-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-carboxamide

1-(3-aminopropyl)-5-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-carboxamide (PubChem CID 104758377) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(3-aminopropyl)-5-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-aminopropyl)-5-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-carboxamide
PubChem CID104758377
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name1-(3-aminopropyl)-5-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCOC(C)C)cnn1CCCN
InChIInChI=1S/C13H24N4O2/c1-10(2)19-8-6-15-13(18)12-9-16-17(11(12)3)7-4-5-14/h9-10H,4-8,14H2,1-3H3,(H,15,18)
InChIKeyXWNFMPJIHVYKGV-UHFFFAOYSA-N
XLogP0.70
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide
CID 19621017
1-(3-aminopropyl)-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide
CID 64517209
1-(3-aminopropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methylpyrazole-4-carboxamide
CID 106033658
1-(3-aminopropyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylpyrazole-4-carboxamide
CID 107860485
1-(3-aminopropyl)-5-methyl-N-(pyridazin-3-ylmethyl)pyrazole-4-carboxamide
CID 106894634
(2R)-2-methyl-3-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid
CID 97283275
3-(4-iodo-5-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide
CID 19552223
4-amino-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide
CID 132586606
1-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-N,5-dimethylpyrazole-4-carboxamide
CID 63695465
1-(3-aminopropyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)pyrazole-4-carboxamide
CID 78977040
N-(4-hydroxypentyl)-1,5-dimethylpyrazole-4-carboxamide
CID 107299585
3-amino-2-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 113449772

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-5-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-aminopropyl)-5-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-carboxamide (CID 104758377) is 1-(3-aminopropyl)-5-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-aminopropyl)-5-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-aminopropyl)-5-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-carboxamide is Cc1c(C(=O)NCCOC(C)C)cnn1CCCN.
What is the InChIKey of 1-(3-aminopropyl)-5-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-carboxamide?
The InChIKey is XWNFMPJIHVYKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-10(2)19-8-6-15-13(18)12-9-16-17(11(12)3)7-4-5-14/h9-10H,4-8,14H2,1-3H3,(H,15,18).
What are the key properties of 1-(3-aminopropyl)-5-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-carboxamide?
1-(3-aminopropyl)-5-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 0.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-5-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 104758377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).