N-tert-butyl-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]propanamide

C14H26N4O — CID 91830246

IUPACN-tert-butyl-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]propanamide
SMILESCc1n[nH]c(C)c1CN(C)CCC(=O)NC(C)(C)C
InChIInChI=1S/C14H26N4O/c1-10-12(11(2)17-16-10)9-18(6)8-7-13(19)15-14(3,4)5/h7-9H2,1-6H3,(H,15,19)(H,16,17)
InChIKeyYHHPBPNEHLMSQW-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.76
Rot. Bonds5

About N-tert-butyl-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]propanamide

N-tert-butyl-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]propanamide (PubChem CID 91830246) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-tert-butyl-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]propanamide
PubChem CID91830246
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-tert-butyl-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]propanamide
SMILESCc1n[nH]c(C)c1CN(C)CCC(=O)NC(C)(C)C
InChIInChI=1S/C14H26N4O/c1-10-12(11(2)17-16-10)9-18(6)8-7-13(19)15-14(3,4)5/h7-9H2,1-6H3,(H,15,19)(H,16,17)
InChIKeyYHHPBPNEHLMSQW-UHFFFAOYSA-N
XLogP1.76
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]propanamide?
The IUPAC name of N-tert-butyl-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]propanamide (CID 91830246) is N-tert-butyl-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]propanamide?
The canonical SMILES for N-tert-butyl-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]propanamide is Cc1n[nH]c(C)c1CN(C)CCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]propanamide?
The InChIKey is YHHPBPNEHLMSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-10-12(11(2)17-16-10)9-18(6)8-7-13(19)15-14(3,4)5/h7-9H2,1-6H3,(H,15,19)(H,16,17).
What are the key properties of N-tert-butyl-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]propanamide?
N-tert-butyl-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]propanamide has a molecular weight of 266.39 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]propanamide is sourced from PubChem (CID 91830246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).