N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C18H21N5O2 — CID 119292226

IUPACN-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(Cn1cc(NC(=O)C2Cc3ccccc3CN2)cn1)NC1CC1
InChIInChI=1S/C18H21N5O2/c24-17(21-14-5-6-14)11-23-10-15(9-20-23)22-18(25)16-7-12-3-1-2-4-13(12)8-19-16/h1-4,9-10,14,16,19H,5-8,11H2,(H,21,24)(H,22,25)
InChIKeyMXZUICKGNRDGHN-UHFFFAOYSA-N
MW339.40 g/mol
LogP0.81
Rot. Bonds5

About N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 119292226) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID119292226
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(Cn1cc(NC(=O)C2Cc3ccccc3CN2)cn1)NC1CC1
InChIInChI=1S/C18H21N5O2/c24-17(21-14-5-6-14)11-23-10-15(9-20-23)22-18(25)16-7-12-3-1-2-4-13(12)8-19-16/h1-4,9-10,14,16,19H,5-8,11H2,(H,21,24)(H,22,25)
InChIKeyMXZUICKGNRDGHN-UHFFFAOYSA-N
XLogP0.81
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 119292226) is N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is O=C(Cn1cc(NC(=O)C2Cc3ccccc3CN2)cn1)NC1CC1.
What is the InChIKey of N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is MXZUICKGNRDGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-17(21-14-5-6-14)11-23-10-15(9-20-23)22-18(25)16-7-12-3-1-2-4-13(12)8-19-16/h1-4,9-10,14,16,19H,5-8,11H2,(H,21,24)(H,22,25).
What are the key properties of N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 119292226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).