N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide

C19H26N4O — CID 97146560

IUPACN-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N(C)C[C@@H]2Cc3ccccc3CN2C)n[nH]1
InChIInChI=1S/C19H26N4O/c1-4-7-16-11-18(21-20-16)19(24)23(3)13-17-10-14-8-5-6-9-15(14)12-22(17)2/h5-6,8-9,11,17H,4,7,10,12-13H2,1-3H3,(H,20,21)/t17-/m0/s1
InChIKeyMNNYPHPSIXLBKC-KRWDZBQOSA-N
MW326.44 g/mol
LogP2.49
Rot. Bonds5

About N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide

N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 97146560) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID97146560
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N(C)C[C@@H]2Cc3ccccc3CN2C)n[nH]1
InChIInChI=1S/C19H26N4O/c1-4-7-16-11-18(21-20-16)19(24)23(3)13-17-10-14-8-5-6-9-15(14)12-22(17)2/h5-6,8-9,11,17H,4,7,10,12-13H2,1-3H3,(H,20,21)/t17-/m0/s1
InChIKeyMNNYPHPSIXLBKC-KRWDZBQOSA-N
XLogP2.49
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

N-methyl-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 124853333
N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]quinoxaline-6-carboxamide
CID 70785842
3-ethoxy-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]propanamide
CID 70756048
3-(3-chloro-1H-1,2,4-triazol-5-yl)-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]propanamide
CID 96581467
N-(3-hydroxy-3-phenylpropyl)-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
CID 46996324
N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 91774727
N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 70727512
5-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-3-carboxamide
CID 55551440
N,1-dimethyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]indole-6-carboxamide
CID 70725270
N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 56911397
2-(1H-imidazol-2-yl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]benzamide
CID 56919155
methyl N-[2-[methyl-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]amino]-2-oxoethyl]carbamate
CID 96580861

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 97146560) is N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)N(C)C[C@@H]2Cc3ccccc3CN2C)n[nH]1.
What is the InChIKey of N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is MNNYPHPSIXLBKC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N4O/c1-4-7-16-11-18(21-20-16)19(24)23(3)13-17-10-14-8-5-6-9-15(14)12-22(17)2/h5-6,8-9,11,17H,4,7,10,12-13H2,1-3H3,(H,20,21)/t17-/m0/s1.
What are the key properties of N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide?
N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 97146560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).