N-[2-(dimethylamino)ethyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide

C13H24N4O — CID 72881553

IUPACN-[2-(dimethylamino)ethyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)N(C)CCN(C)C)c1C
InChIInChI=1S/C13H24N4O/c1-6-7-17-11(2)12(10-14-17)13(18)16(5)9-8-15(3)4/h10H,6-9H2,1-5H3
InChIKeyLRAWFGKEEGWGAS-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.24
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide

N-[2-(dimethylamino)ethyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide (PubChem CID 72881553) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide
PubChem CID72881553
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[2-(dimethylamino)ethyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)N(C)CCN(C)C)c1C
InChIInChI=1S/C13H24N4O/c1-6-7-17-11(2)12(10-14-17)13(18)16(5)9-8-15(3)4/h10H,6-9H2,1-5H3
InChIKeyLRAWFGKEEGWGAS-UHFFFAOYSA-N
XLogP1.24
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-N,5-dimethylpyrazole-4-carboxamide
CID 63695465
3-[(1-butyl-5-methylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid
CID 122111425
N-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide
CID 19621017
1-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 19477894
(2R)-2-methyl-3-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid
CID 97283275
N-cyclopropyl-5-methyl-1-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 72884307
[2-[(dimethylamino)methyl]piperidin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 110226329
N-(5-bromopentyl)-N,1,5-trimethylpyrazole-4-carboxamide
CID 107206006
2-(4-iodo-5-methylpyrazol-1-yl)-N,N-dimethylethanamine
CID 170122692
ethyl 1-[2-(dimethylamino)ethyl]-5-propan-2-ylpyrazole-4-carboxylate
CID 55173850
2-[(1-benzyl-5-methylpyrazole-4-carbonyl)-methylamino]acetic acid
CID 119171995
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-one
CID 114639261

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide (CID 72881553) is N-[2-(dimethylamino)ethyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide is CCCn1ncc(C(=O)N(C)CCN(C)C)c1C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide?
The InChIKey is LRAWFGKEEGWGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-7-17-11(2)12(10-14-17)13(18)16(5)9-8-15(3)4/h10H,6-9H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide?
N-[2-(dimethylamino)ethyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 72881553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).