N-(5-aminopentyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide

C13H24N4O — CID 107206591

IUPACN-(5-aminopentyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N(C)CCCCCN
InChIInChI=1S/C13H24N4O/c1-10-12(11(2)17(4)15-10)13(18)16(3)9-7-5-6-8-14/h5-9,14H2,1-4H3
InChIKeyUSQOOGVXGBNSRK-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.24
Rot. Bonds6

About N-(5-aminopentyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide

N-(5-aminopentyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide (PubChem CID 107206591) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(5-aminopentyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
PubChem CID107206591
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(5-aminopentyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N(C)CCCCCN
InChIInChI=1S/C13H24N4O/c1-10-12(11(2)17(4)15-10)13(18)16(3)9-7-5-6-8-14/h5-9,14H2,1-4H3
InChIKeyUSQOOGVXGBNSRK-UHFFFAOYSA-N
XLogP1.24
TPSA64.15 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoic acid
CID 43151815
N,1,3,5-tetramethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477956
ethyl 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate
CID 55003284
N-(4-aminobutan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 63225554
N-(5-aminopentyl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
CID 107206783
N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 115318737
N-(2-chloroethyl)-N-ethyl-1,3,5-trimethylpyrazole-4-carboxamide
CID 63395629
N,1,3,5-tetramethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-4-carboxamide
CID 77089309
N-(2-chloro-3-methoxypropyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 63398323
3-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 54926881
ethyl (3S)-3-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoate
CID 124872087
ethyl 2-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate
CID 61021700

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide?
The IUPAC name of N-(5-aminopentyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide (CID 107206591) is N-(5-aminopentyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-aminopentyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-aminopentyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)N(C)CCCCCN.
What is the InChIKey of N-(5-aminopentyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide?
The InChIKey is USQOOGVXGBNSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10-12(11(2)17(4)15-10)13(18)16(3)9-7-5-6-8-14/h5-9,14H2,1-4H3.
What are the key properties of N-(5-aminopentyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide?
N-(5-aminopentyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide is sourced from PubChem (CID 107206591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).