3-(tert-butylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide

C14H26N4O — CID 62039836

IUPAC3-(tert-butylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
SMILESCc1[nH]ncc1CCCNC(=O)CCNC(C)(C)C
InChIInChI=1S/C14H26N4O/c1-11-12(10-17-18-11)6-5-8-15-13(19)7-9-16-14(2,3)4/h10,16H,5-9H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyYOXUZBKTPMCZBC-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.55
Rot. Bonds7

About 3-(tert-butylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide

3-(tert-butylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide (PubChem CID 62039836) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
PubChem CID62039836
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name3-(tert-butylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
SMILESCc1[nH]ncc1CCCNC(=O)CCNC(C)(C)C
InChIInChI=1S/C14H26N4O/c1-11-12(10-17-18-11)6-5-8-15-13(19)7-9-16-14(2,3)4/h10,16H,5-9H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyYOXUZBKTPMCZBC-UHFFFAOYSA-N
XLogP1.55
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide?
The IUPAC name of 3-(tert-butylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide (CID 62039836) is 3-(tert-butylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide is Cc1[nH]ncc1CCCNC(=O)CCNC(C)(C)C.
What is the InChIKey of 3-(tert-butylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide?
The InChIKey is YOXUZBKTPMCZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-11-12(10-17-18-11)6-5-8-15-13(19)7-9-16-14(2,3)4/h10,16H,5-9H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 3-(tert-butylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide?
3-(tert-butylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide has a molecular weight of 266.39 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide is sourced from PubChem (CID 62039836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).