N-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)formamide

C15H19N3O — CID 168651859

IUPACN-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)formamide
SMILESCC1(C)CC(C)(C)c2c1cc1[nH]ncc1c2NC=O
InChIInChI=1S/C15H19N3O/c1-14(2)7-15(3,4)12-10(14)5-11-9(6-17-18-11)13(12)16-8-19/h5-6,8H,7H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyICWNHZFWMPVOSW-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.09
Rot. Bonds2

About N-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)formamide

N-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)formamide (PubChem CID 168651859) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)formamide.

Molecular Properties

Compound NameN-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)formamide
PubChem CID168651859
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)formamide
SMILESCC1(C)CC(C)(C)c2c1cc1[nH]ncc1c2NC=O
InChIInChI=1S/C15H19N3O/c1-14(2)7-15(3,4)12-10(14)5-11-9(6-17-18-11)13(12)16-8-19/h5-6,8H,7H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyICWNHZFWMPVOSW-UHFFFAOYSA-N
XLogP3.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)amino]ethene-1,1,2-tricarbonitrile
CID 168610061
5-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169377602
dimethyl 3-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168635389
N-(5-bromo-1H-indazol-6-yl)formamide
CID 168653243
N-(4,6-dichloro-1H-pyrazolo[4,5-c]pyridin-7-yl)formamide
CID 175298701
1-(6-chloro-1H-indazol-4-yl)cyclopropan-1-ol
CID 138580255
N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]formamide
CID 146589495
N-(1H-indazol-4-yl)-4-methylpiperidine-4-carboxamide
CID 55177746
N-(4-bromo-1H-indazol-7-yl)formamide
CID 168653221
3-(4-methoxycarbonyl-1H-indazol-6-yl)prop-2-enoic acid
CID 169461051
6-acetyl-1H-indazole-4-carbonitrile
CID 163708839
N-[[3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]methyl]methanesulfinamide
CID 138580397

Frequently Asked Questions

What is the IUPAC name of N-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)formamide?
The IUPAC name of N-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)formamide (CID 168651859) is N-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)formamide.
What is the SMILES notation for N-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)formamide?
The canonical SMILES for N-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)formamide is CC1(C)CC(C)(C)c2c1cc1[nH]ncc1c2NC=O.
What is the InChIKey of N-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)formamide?
The InChIKey is ICWNHZFWMPVOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-14(2)7-15(3,4)12-10(14)5-11-9(6-17-18-11)13(12)16-8-19/h5-6,8H,7H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of N-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)formamide?
N-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)formamide has a molecular weight of 257.34 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5,7,7-tetramethyl-1,6-dihydrocyclopenta[f]indazol-4-yl)formamide is sourced from PubChem (CID 168651859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).