N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine

C18H23N3 — CID 131922629

IUPACN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc2c(c1)CC(NCc1n[nH]c3c1CCCCC3)C2
InChIInChI=1S/C18H23N3/c1-2-8-16-17(9-3-1)20-21-18(16)12-19-15-10-13-6-4-5-7-14(13)11-15/h4-7,15,19H,1-3,8-12H2,(H,20,21)
InChIKeyQKVDPHNUKASSIA-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.94
Rot. Bonds3

About N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 131922629) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID131922629
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc2c(c1)CC(NCc1n[nH]c3c1CCCCC3)C2
InChIInChI=1S/C18H23N3/c1-2-8-16-17(9-3-1)20-21-18(16)12-19-15-10-13-6-4-5-7-14(13)11-15/h4-7,15,19H,1-3,8-12H2,(H,20,21)
InChIKeyQKVDPHNUKASSIA-UHFFFAOYSA-N
XLogP2.94
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)cyclopropanamine
CID 62113034
(3R)-2-ethyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 124750580
N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanamine
CID 3157469
N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,4-dithiepan-6-amine
CID 56711807
2-fluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentan-1-amine
CID 126857834
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 103780736
N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 121497108
1,1-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carboxamide
CID 77080680
N-(2,3-dihydro-1H-inden-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 131942976
3-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 71495985
1-[(3S)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone
CID 139020823
4,5,6,7-tetrahydro-1H-indazol-3-ylmethanamine
CID 3163200

Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine (CID 131922629) is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine is c1ccc2c(c1)CC(NCc1n[nH]c3c1CCCCC3)C2.
What is the InChIKey of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is QKVDPHNUKASSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-8-16-17(9-3-1)20-21-18(16)12-19-15-10-13-6-4-5-7-14(13)11-15/h4-7,15,19H,1-3,8-12H2,(H,20,21).
What are the key properties of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 281.40 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 131922629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).