N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-ethyl-5-methylpyrazole-3-carboxamide

C12H18N6O — CID 104592838

IUPACN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1nn(C)cc1CN
InChIInChI=1S/C12H18N6O/c1-4-18-10(5-8(2)15-18)12(19)14-11-9(6-13)7-17(3)16-11/h5,7H,4,6,13H2,1-3H3,(H,14,16,19)
InChIKeyHIEGVEYPUNEPPX-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.66
Rot. Bonds4

About N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-ethyl-5-methylpyrazole-3-carboxamide

N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-ethyl-5-methylpyrazole-3-carboxamide (PubChem CID 104592838) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-ethyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-ethyl-5-methylpyrazole-3-carboxamide
PubChem CID104592838
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1nn(C)cc1CN
InChIInChI=1S/C12H18N6O/c1-4-18-10(5-8(2)15-18)12(19)14-11-9(6-13)7-17(3)16-11/h5,7H,4,6,13H2,1-3H3,(H,14,16,19)
InChIKeyHIEGVEYPUNEPPX-UHFFFAOYSA-N
XLogP0.66
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(aminomethyl)-1-methylpyrazol-3-yl]propanamide
CID 104592680
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801083
N-(1-aminobutan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66121273
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-fluoro-3-methylbenzamide
CID 104592785
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]pyrimidine-5-carboxamide
CID 102921219
N-(1-amino-4-methylpentan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66119698
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-ethoxybenzamide
CID 104592742
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 104592677
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 104592766
[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]thiourea
CID 66120897
2-ethyl-5-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrazole-3-carboxamide
CID 113236961
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylsulfonylbenzamide
CID 104592792

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-ethyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-ethyl-5-methylpyrazole-3-carboxamide (CID 104592838) is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-ethyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-ethyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-ethyl-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)Nc1nn(C)cc1CN.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-ethyl-5-methylpyrazole-3-carboxamide?
The InChIKey is HIEGVEYPUNEPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-4-18-10(5-8(2)15-18)12(19)14-11-9(6-13)7-17(3)16-11/h5,7H,4,6,13H2,1-3H3,(H,14,16,19).
What are the key properties of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-ethyl-5-methylpyrazole-3-carboxamide?
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-ethyl-5-methylpyrazole-3-carboxamide has a molecular weight of 262.32 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-ethyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 104592838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).