1-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]imidazo[2,1-e]pyrazole-7-carboxamide

C16H20N6O — CID 50981979

IUPAC1-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]imidazo[2,1-e]pyrazole-7-carboxamide
SMILESCn1ccn2ncc(C(=O)NCCc3n[nH]c4c3CCCC4)c12
InChIInChI=1S/C16H20N6O/c1-21-8-9-22-16(21)12(10-18-22)15(23)17-7-6-14-11-4-2-3-5-13(11)19-20-14/h8-10H,2-7H2,1H3,(H,17,23)(H,19,20)
InChIKeyQXUKXFROVWBLSA-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.25
Rot. Bonds4

About 1-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]imidazo[2,1-e]pyrazole-7-carboxamide

1-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]imidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 50981979) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]imidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]imidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID50981979
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name1-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]imidazo[2,1-e]pyrazole-7-carboxamide
SMILESCn1ccn2ncc(C(=O)NCCc3n[nH]c4c3CCCC4)c12
InChIInChI=1S/C16H20N6O/c1-21-8-9-22-16(21)12(10-18-22)15(23)17-7-6-14-11-4-2-3-5-13(11)19-20-14/h8-10H,2-7H2,1H3,(H,17,23)(H,19,20)
InChIKeyQXUKXFROVWBLSA-UHFFFAOYSA-N
XLogP1.25
TPSA80.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,1-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide
CID 50960239
5-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide
CID 91834000
3,5-dimethyl-4-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46985204
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]benzamide
CID 91832695
(4R)-4-(furan-3-yl)-6-methyl-2-oxo-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95200349
N-[(1-methylpyrazol-4-yl)methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide
CID 126781070
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 77094219
N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 125177894
N,4-dimethyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 137339686
N-[3-(2,5-dimethylanilino)-3-oxopropyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 50974131
N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 50957554
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 91831552

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]imidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of 1-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]imidazo[2,1-e]pyrazole-7-carboxamide (CID 50981979) is 1-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]imidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]imidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]imidazo[2,1-e]pyrazole-7-carboxamide is Cn1ccn2ncc(C(=O)NCCc3n[nH]c4c3CCCC4)c12.
What is the InChIKey of 1-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]imidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is QXUKXFROVWBLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-21-8-9-22-16(21)12(10-18-22)15(23)17-7-6-14-11-4-2-3-5-13(11)19-20-14/h8-10H,2-7H2,1H3,(H,17,23)(H,19,20).
What are the key properties of 1-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]imidazo[2,1-e]pyrazole-7-carboxamide?
1-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]imidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 312.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]imidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 50981979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).