N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide

C18H24N4O2 — CID 118740764

IUPACN-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC2OCCc3cn(CC4CC4)nc32)c(C)[nH]1
InChIInChI=1S/C18H24N4O2/c1-11-7-15(12(2)20-11)18(23)19-8-16-17-14(5-6-24-16)10-22(21-17)9-13-3-4-13/h7,10,13,16,20H,3-6,8-9H2,1-2H3,(H,19,23)
InChIKeyPTKATZXLQVFVBN-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.28
Rot. Bonds5

About N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide

N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 118740764) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID118740764
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC2OCCc3cn(CC4CC4)nc32)c(C)[nH]1
InChIInChI=1S/C18H24N4O2/c1-11-7-15(12(2)20-11)18(23)19-8-16-17-14(5-6-24-16)10-22(21-17)9-13-3-4-13/h7,10,13,16,20H,3-6,8-9H2,1-2H3,(H,19,23)
InChIKeyPTKATZXLQVFVBN-UHFFFAOYSA-N
XLogP2.28
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide (CID 118740764) is N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide is Cc1cc(C(=O)NCC2OCCc3cn(CC4CC4)nc32)c(C)[nH]1.
What is the InChIKey of N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide?
The InChIKey is PTKATZXLQVFVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-11-7-15(12(2)20-11)18(23)19-8-16-17-14(5-6-24-16)10-22(21-17)9-13-3-4-13/h7,10,13,16,20H,3-6,8-9H2,1-2H3,(H,19,23).
What are the key properties of N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide?
N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 118740764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).