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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Related Compounds

N-tert-butyl-3-[3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propanamide
CID 72042931
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,4,4-trifluorobutanamide
CID 77092657
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 86808592
3-[2-cyanoethyl-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]propanenitrile
CID 86816768
N~1~-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methyl-D-leucinamide
CID 90647268
N~1~-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N~1~-methyl-N~3~-(methylsulfonyl)-beta-alaninamide
CID 90648547
N~1~-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N~1~-methyl-L-isoleucinamide
CID 90649673
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 97150111
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,4,4-trifluorobutanamide
CID 99949285
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide
CID 124753671
N-[(4S)-2-methyl-4-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pentan-2-yl]acetamide
CID 129610433
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 132383817

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).