N-[(2S)-4-cyclopropylbutan-2-yl]-1H-indazol-5-amine

C14H19N3 — CID 99785140

IUPACN-[(2S)-4-cyclopropylbutan-2-yl]-1H-indazol-5-amine
SMILESC[C@@H](CCC1CC1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C14H19N3/c1-10(2-3-11-4-5-11)16-13-6-7-14-12(8-13)9-15-17-14/h6-11,16H,2-5H2,1H3,(H,15,17)/t10-/m0/s1
InChIKeyCPBCZTFMEURICL-JTQLQIEISA-N
MW229.33 g/mol
LogP3.55
Rot. Bonds5

About N-[(2S)-4-cyclopropylbutan-2-yl]-1H-indazol-5-amine

N-[(2S)-4-cyclopropylbutan-2-yl]-1H-indazol-5-amine (PubChem CID 99785140) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[(2S)-4-cyclopropylbutan-2-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(2S)-4-cyclopropylbutan-2-yl]-1H-indazol-5-amine
PubChem CID99785140
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[(2S)-4-cyclopropylbutan-2-yl]-1H-indazol-5-amine
SMILESC[C@@H](CCC1CC1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C14H19N3/c1-10(2-3-11-4-5-11)16-13-6-7-14-12(8-13)9-15-17-14/h6-11,16H,2-5H2,1H3,(H,15,17)/t10-/m0/s1
InChIKeyCPBCZTFMEURICL-JTQLQIEISA-N
XLogP3.55
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-cyclopropylbutan-2-yl]-1H-indazol-5-amine?
The IUPAC name of N-[(2S)-4-cyclopropylbutan-2-yl]-1H-indazol-5-amine (CID 99785140) is N-[(2S)-4-cyclopropylbutan-2-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[(2S)-4-cyclopropylbutan-2-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[(2S)-4-cyclopropylbutan-2-yl]-1H-indazol-5-amine is C[C@@H](CCC1CC1)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of N-[(2S)-4-cyclopropylbutan-2-yl]-1H-indazol-5-amine?
The InChIKey is CPBCZTFMEURICL-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N3/c1-10(2-3-11-4-5-11)16-13-6-7-14-12(8-13)9-15-17-14/h6-11,16H,2-5H2,1H3,(H,15,17)/t10-/m0/s1.
What are the key properties of N-[(2S)-4-cyclopropylbutan-2-yl]-1H-indazol-5-amine?
N-[(2S)-4-cyclopropylbutan-2-yl]-1H-indazol-5-amine has a molecular weight of 229.33 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-cyclopropylbutan-2-yl]-1H-indazol-5-amine is sourced from PubChem (CID 99785140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).