2-(cyclopropylmethyl)-N-(1,3-dimethylpyrazol-4-yl)-N-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride

C21H31ClN4 — CID 156705903

IUPAC2-(cyclopropylmethyl)-N-(1,3-dimethylpyrazol-4-yl)-N-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
SMILESCc1nn(C)cc1N(c1ccc2c(c1)CN(CC1CC1)CC2)C(C)C.Cl
InChIInChI=1S/C21H30N4.ClH/c1-15(2)25(21-14-23(4)22-16(21)3)20-8-7-18-9-10-24(12-17-5-6-17)13-19(18)11-20;/h7-8,11,14-15,17H,5-6,9-10,12-13H2,1-4H3;1H
InChIKeyIPGCFDUNZNDQQF-UHFFFAOYSA-N
MW374.96 g/mol
LogP4.46
Rot. Bonds5

About 2-(cyclopropylmethyl)-N-(1,3-dimethylpyrazol-4-yl)-N-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride

2-(cyclopropylmethyl)-N-(1,3-dimethylpyrazol-4-yl)-N-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride (PubChem CID 156705903) has the molecular formula C21H31ClN4 and a molecular weight of 374.96 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-N-(1,3-dimethylpyrazol-4-yl)-N-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-N-(1,3-dimethylpyrazol-4-yl)-N-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
PubChem CID156705903
Molecular FormulaC21H31ClN4
Molecular Weight374.96 g/mol
Exact Mass374.22
IUPAC Name2-(cyclopropylmethyl)-N-(1,3-dimethylpyrazol-4-yl)-N-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
SMILESCc1nn(C)cc1N(c1ccc2c(c1)CN(CC1CC1)CC2)C(C)C.Cl
InChIInChI=1S/C21H30N4.ClH/c1-15(2)25(21-14-23(4)22-16(21)3)20-8-7-18-9-10-24(12-17-5-6-17)13-19(18)11-20;/h7-8,11,14-15,17H,5-6,9-10,12-13H2,1-4H3;1H
InChIKeyIPGCFDUNZNDQQF-UHFFFAOYSA-N
XLogP4.46
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.96
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-N-(1,3-dimethylpyrazol-4-yl)-N-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride?
The IUPAC name of 2-(cyclopropylmethyl)-N-(1,3-dimethylpyrazol-4-yl)-N-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride (CID 156705903) is 2-(cyclopropylmethyl)-N-(1,3-dimethylpyrazol-4-yl)-N-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethyl)-N-(1,3-dimethylpyrazol-4-yl)-N-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethyl)-N-(1,3-dimethylpyrazol-4-yl)-N-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride is Cc1nn(C)cc1N(c1ccc2c(c1)CN(CC1CC1)CC2)C(C)C.Cl.
What is the InChIKey of 2-(cyclopropylmethyl)-N-(1,3-dimethylpyrazol-4-yl)-N-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride?
The InChIKey is IPGCFDUNZNDQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4.ClH/c1-15(2)25(21-14-23(4)22-16(21)3)20-8-7-18-9-10-24(12-17-5-6-17)13-19(18)11-20;/h7-8,11,14-15,17H,5-6,9-10,12-13H2,1-4H3;1H.
What are the key properties of 2-(cyclopropylmethyl)-N-(1,3-dimethylpyrazol-4-yl)-N-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride?
2-(cyclopropylmethyl)-N-(1,3-dimethylpyrazol-4-yl)-N-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride has a molecular weight of 374.96 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-N-(1,3-dimethylpyrazol-4-yl)-N-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride is sourced from PubChem (CID 156705903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).