N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C18H24N4O — CID 100686925

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCc1[nH]ncc1CNC(=O)N1CCc2c(cccc2C(C)C)C1
InChIInChI=1S/C18H24N4O/c1-12(2)16-6-4-5-14-11-22(8-7-17(14)16)18(23)19-9-15-10-20-21-13(15)3/h4-6,10,12H,7-9,11H2,1-3H3,(H,19,23)(H,20,21)
InChIKeySCMGZPMUGHJKSM-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.11
Rot. Bonds3

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 100686925) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID100686925
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCc1[nH]ncc1CNC(=O)N1CCc2c(cccc2C(C)C)C1
InChIInChI=1S/C18H24N4O/c1-12(2)16-6-4-5-14-11-22(8-7-17(14)16)18(23)19-9-15-10-20-21-13(15)3/h4-6,10,12H,7-9,11H2,1-3H3,(H,19,23)(H,20,21)
InChIKeySCMGZPMUGHJKSM-UHFFFAOYSA-N
XLogP3.11
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 100686925) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide is Cc1[nH]ncc1CNC(=O)N1CCc2c(cccc2C(C)C)C1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is SCMGZPMUGHJKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12(2)16-6-4-5-14-11-22(8-7-17(14)16)18(23)19-9-15-10-20-21-13(15)3/h4-6,10,12H,7-9,11H2,1-3H3,(H,19,23)(H,20,21).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 100686925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).