N-[5-(aminomethyl)-2-pyridinyl]-1,3-diethylpyrazole-5-carboxamide

C14H19N5O — CID 66122725

IUPACN-[5-(aminomethyl)-2-pyridinyl]-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(CN)cn2)n(CC)n1
InChIInChI=1S/C14H19N5O/c1-3-11-7-12(19(4-2)18-11)14(20)17-13-6-5-10(8-15)9-16-13/h5-7,9H,3-4,8,15H2,1-2H3,(H,16,17,20)
InChIKeyLJFXQSCEJLVOGW-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.57
Rot. Bonds5

About N-[5-(aminomethyl)-2-pyridinyl]-1,3-diethylpyrazole-5-carboxamide

N-[5-(aminomethyl)-2-pyridinyl]-1,3-diethylpyrazole-5-carboxamide (PubChem CID 66122725) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[5-(aminomethyl)-2-pyridinyl]-1,3-diethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-2-pyridinyl]-1,3-diethylpyrazole-5-carboxamide
PubChem CID66122725
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-[5-(aminomethyl)-2-pyridinyl]-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(CN)cn2)n(CC)n1
InChIInChI=1S/C14H19N5O/c1-3-11-7-12(19(4-2)18-11)14(20)17-13-6-5-10(8-15)9-16-13/h5-7,9H,3-4,8,15H2,1-2H3,(H,16,17,20)
InChIKeyLJFXQSCEJLVOGW-UHFFFAOYSA-N
XLogP1.57
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(aminomethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide
CID 66120978
N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121952
N-[5-(aminomethyl)-2-pyridinyl]-5-ethylfuran-2-carboxamide
CID 79095429
N-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120033
2-[(1,3-diethylpyrazole-5-carbonyl)amino]benzoic acid
CID 66121377
N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,3-diethylpyrazole-5-carboxamide
CID 79503795
N-[5-(aminomethyl)-2-pyridinyl]-4-methylbenzamide
CID 55063231
N-(5-aminopentyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120386
1,3-diethyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
CID 66120821
N-(3-bromo-2-pyridinyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121397
N-(2-amino-6-fluorophenyl)-1,3-diethylpyrazole-5-carboxamide
CID 81315071
ethyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]acetate
CID 66120233

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-2-pyridinyl]-1,3-diethylpyrazole-5-carboxamide?
The IUPAC name of N-[5-(aminomethyl)-2-pyridinyl]-1,3-diethylpyrazole-5-carboxamide (CID 66122725) is N-[5-(aminomethyl)-2-pyridinyl]-1,3-diethylpyrazole-5-carboxamide.
What is the SMILES notation for N-[5-(aminomethyl)-2-pyridinyl]-1,3-diethylpyrazole-5-carboxamide?
The canonical SMILES for N-[5-(aminomethyl)-2-pyridinyl]-1,3-diethylpyrazole-5-carboxamide is CCc1cc(C(=O)Nc2ccc(CN)cn2)n(CC)n1.
What is the InChIKey of N-[5-(aminomethyl)-2-pyridinyl]-1,3-diethylpyrazole-5-carboxamide?
The InChIKey is LJFXQSCEJLVOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-11-7-12(19(4-2)18-11)14(20)17-13-6-5-10(8-15)9-16-13/h5-7,9H,3-4,8,15H2,1-2H3,(H,16,17,20).
What are the key properties of N-[5-(aminomethyl)-2-pyridinyl]-1,3-diethylpyrazole-5-carboxamide?
N-[5-(aminomethyl)-2-pyridinyl]-1,3-diethylpyrazole-5-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)-2-pyridinyl]-1,3-diethylpyrazole-5-carboxamide is sourced from PubChem (CID 66122725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).