N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide

C12H18N6O — CID 95744231

IUPACN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
SMILESCN(C)CCn1cc(NC(=O)c2ccnn2C)cn1
InChIInChI=1S/C12H18N6O/c1-16(2)6-7-18-9-10(8-14-18)15-12(19)11-4-5-13-17(11)3/h4-5,8-9H,6-7H2,1-3H3,(H,15,19)
InChIKeyIVGMFNNMTMBGTG-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.43
Rot. Bonds5

About N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide

N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 95744231) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
PubChem CID95744231
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC NameN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
SMILESCN(C)CCn1cc(NC(=O)c2ccnn2C)cn1
InChIInChI=1S/C12H18N6O/c1-16(2)6-7-18-9-10(8-14-18)15-12(19)11-4-5-13-17(11)3/h4-5,8-9H,6-7H2,1-3H3,(H,15,19)
InChIKeyIVGMFNNMTMBGTG-UHFFFAOYSA-N
XLogP0.43
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 95744342
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 95749180
3,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
CID 49088730
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-difluorobenzamide
CID 49092977
2,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
CID 49088727
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 19475757
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 95744309
4-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-methoxy-1-methylpyrazole-3-carboxamide
CID 95744361
8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide
CID 167831048
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-hydroxy-2-phenylacetamide
CID 111432605
2-(dimethylamino)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methylpyrimidine-4-carboxamide
CID 95744392
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 52518675

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide (CID 95744231) is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide is CN(C)CCn1cc(NC(=O)c2ccnn2C)cn1.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is IVGMFNNMTMBGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-16(2)6-7-18-9-10(8-14-18)15-12(19)11-4-5-13-17(11)3/h4-5,8-9H,6-7H2,1-3H3,(H,15,19).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide?
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 262.32 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 95744231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).