5-tert-butyl-N-pyrrolidin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-amine

C15H26N4 — CID 114697882

IUPAC5-tert-butyl-N-pyrrolidin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESCC(C)(C)C1CCc2[nH]nc(NC3CCNC3)c2C1
InChIInChI=1S/C15H26N4/c1-15(2,3)10-4-5-13-12(8-10)14(19-18-13)17-11-6-7-16-9-11/h10-11,16H,4-9H2,1-3H3,(H2,17,18,19)
InChIKeyVJURIEWIRIECOB-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.33
Rot. Bonds2

About 5-tert-butyl-N-pyrrolidin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-amine

5-tert-butyl-N-pyrrolidin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-amine (PubChem CID 114697882) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-tert-butyl-N-pyrrolidin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-amine.

Molecular Properties

Compound Name5-tert-butyl-N-pyrrolidin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-amine
PubChem CID114697882
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name5-tert-butyl-N-pyrrolidin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESCC(C)(C)C1CCc2[nH]nc(NC3CCNC3)c2C1
InChIInChI=1S/C15H26N4/c1-15(2,3)10-4-5-13-12(8-10)14(19-18-13)17-11-6-7-16-9-11/h10-11,16H,4-9H2,1-3H3,(H2,17,18,19)
InChIKeyVJURIEWIRIECOB-UHFFFAOYSA-N
XLogP2.33
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-ditert-butyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 63049206
(5R)-5-tert-butyl-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 95990047
(6S)-6-tert-butyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 170413494
5-ethyl-4-methyl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697915
N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 63049736
N-cyclopropyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine
CID 63048851
N-pyrrolidin-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 114697863
N-cyclopropyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 83863232
7-methyl-N-pyrrolidin-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 114697907
tert-butyl 3-(cyclopropylamino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 83866831
(5S)-5-tert-butyl-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 51597580
5-tert-butyl-3-methyl-4,5,6,7-tetrahydro-2H-indazole
CID 165463449

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-pyrrolidin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The IUPAC name of 5-tert-butyl-N-pyrrolidin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-amine (CID 114697882) is 5-tert-butyl-N-pyrrolidin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-amine.
What is the SMILES notation for 5-tert-butyl-N-pyrrolidin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The canonical SMILES for 5-tert-butyl-N-pyrrolidin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-amine is CC(C)(C)C1CCc2[nH]nc(NC3CCNC3)c2C1.
What is the InChIKey of 5-tert-butyl-N-pyrrolidin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The InChIKey is VJURIEWIRIECOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-15(2,3)10-4-5-13-12(8-10)14(19-18-13)17-11-6-7-16-9-11/h10-11,16H,4-9H2,1-3H3,(H2,17,18,19).
What are the key properties of 5-tert-butyl-N-pyrrolidin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-amine?
5-tert-butyl-N-pyrrolidin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-amine has a molecular weight of 262.40 g/mol, XLogP of 2.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-pyrrolidin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-amine is sourced from PubChem (CID 114697882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).