1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrazol-4-amine;hydrochloride

C13H16ClN3 — CID 175096027

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrazol-4-amine;hydrochloride
SMILESCNc1cnn(C2Cc3ccccc3C2)c1.Cl
InChIInChI=1S/C13H15N3.ClH/c1-14-12-8-15-16(9-12)13-6-10-4-2-3-5-11(10)7-13;/h2-5,8-9,13-14H,6-7H2,1H3;1H
InChIKeyCRPPVWQDTFHXDJ-UHFFFAOYSA-N
MW249.75 g/mol
LogP2.69
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrazol-4-amine;hydrochloride

1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrazol-4-amine;hydrochloride (PubChem CID 175096027) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrazol-4-amine;hydrochloride
PubChem CID175096027
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrazol-4-amine;hydrochloride
SMILESCNc1cnn(C2Cc3ccccc3C2)c1.Cl
InChIInChI=1S/C13H15N3.ClH/c1-14-12-8-15-16(9-12)13-6-10-4-2-3-5-11(10)7-13;/h2-5,8-9,13-14H,6-7H2,1H3;1H
InChIKeyCRPPVWQDTFHXDJ-UHFFFAOYSA-N
XLogP2.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-amine
CID 123761196
N-(2,3-dihydro-1H-inden-2-yl)-1-methylpyrazol-4-amine
CID 43534709
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 167791806
4-acetylcyclohexane-1-carbaldehyde;ethane;N-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-amine
CID 176683830
2-[4-(methylamino)pyrazol-1-yl]phenol
CID 83877134
N-[1-(azetidin-3-yl)pyrazol-4-yl]acetamide;hydrochloride
CID 142434812
4-benzyl-1-(2,3-dihydro-1H-inden-2-yl)triazole
CID 68556485
11,13-dimethyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
CID 59712102
1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 65409933
1,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine
CID 154930834
(E)-4-(dimethylamino)-1-[3-[4-(methylamino)pyrazol-1-yl]pyrrolidin-1-yl]but-2-en-1-one;ethane
CID 169136098
2-[[(1-cyclopentylpyrazol-4-yl)amino]methyl]benzoic acid;hydrochloride
CID 126968275

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrazol-4-amine;hydrochloride?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrazol-4-amine;hydrochloride (CID 175096027) is 1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrazol-4-amine;hydrochloride is CNc1cnn(C2Cc3ccccc3C2)c1.Cl.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrazol-4-amine;hydrochloride?
The InChIKey is CRPPVWQDTFHXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3.ClH/c1-14-12-8-15-16(9-12)13-6-10-4-2-3-5-11(10)7-13;/h2-5,8-9,13-14H,6-7H2,1H3;1H.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrazol-4-amine;hydrochloride?
1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrazol-4-amine;hydrochloride has a molecular weight of 249.75 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 175096027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).