4-(aminomethyl)-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-ol

C11H17N3O — CID 83909020

IUPAC4-(aminomethyl)-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-ol
SMILESNCC1(O)CCCc2[nH]nc(C3CC3)c21
InChIInChI=1S/C11H17N3O/c12-6-11(15)5-1-2-8-9(11)10(14-13-8)7-3-4-7/h7,15H,1-6,12H2,(H,13,14)
InChIKeyBMCUBFUHHMZWRU-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.77
Rot. Bonds2

About 4-(aminomethyl)-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-ol

4-(aminomethyl)-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-ol (PubChem CID 83909020) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-(aminomethyl)-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-ol
PubChem CID83909020
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-(aminomethyl)-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-ol
SMILESNCC1(O)CCCc2[nH]nc(C3CC3)c21
InChIInChI=1S/C11H17N3O/c12-6-11(15)5-1-2-8-9(11)10(14-13-8)7-3-4-7/h7,15H,1-6,12H2,(H,13,14)
InChIKeyBMCUBFUHHMZWRU-UHFFFAOYSA-N
XLogP0.77
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5,6,7-Tetrahydro-1H-indazol-3-yl)cyclopropan-1-ol
CID 90385271
3-methyl-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 13333938
3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 15192804
3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-ol
CID 66489339
4-(1-Aminoethyl)-1,5,6,7-tetrahydroindazol-4-ol
CID 82408241
3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 82591214
3-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 83863575
3-(2-Aminoethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol
CID 83863611
3-(Aminomethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol
CID 83863614
4-(Aminomethyl)-1,5,6,7-tetrahydroindazol-4-ol
CID 83905567
4-(Aminomethyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ol
CID 83906519
4-(2-Aminoethyl)-1,5,6,7-tetrahydroindazol-4-ol
CID 83906525

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-ol?
The IUPAC name of 4-(aminomethyl)-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-ol (CID 83909020) is 4-(aminomethyl)-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-ol.
What is the SMILES notation for 4-(aminomethyl)-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-ol?
The canonical SMILES for 4-(aminomethyl)-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-ol is NCC1(O)CCCc2[nH]nc(C3CC3)c21.
What is the InChIKey of 4-(aminomethyl)-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-ol?
The InChIKey is BMCUBFUHHMZWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-6-11(15)5-1-2-8-9(11)10(14-13-8)7-3-4-7/h7,15H,1-6,12H2,(H,13,14).
What are the key properties of 4-(aminomethyl)-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-ol?
4-(aminomethyl)-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-ol has a molecular weight of 207.28 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-ol is sourced from PubChem (CID 83909020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).