N-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C19H23N3O2 — CID 166282636

IUPACN-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCOc1ccc2c(c1)CCC(C(=O)Nc1ccn(CC3CC3)n1)C2
InChIInChI=1S/C19H23N3O2/c1-24-17-7-6-14-10-16(5-4-15(14)11-17)19(23)20-18-8-9-22(21-18)12-13-2-3-13/h6-9,11,13,16H,2-5,10,12H2,1H3,(H,20,21,23)
InChIKeyBWVAFSUHXSNHCR-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.05
Rot. Bonds5

About N-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 166282636) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID166282636
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCOc1ccc2c(c1)CCC(C(=O)Nc1ccn(CC3CC3)n1)C2
InChIInChI=1S/C19H23N3O2/c1-24-17-7-6-14-10-16(5-4-15(14)11-17)19(23)20-18-8-9-22(21-18)12-13-2-3-13/h6-9,11,13,16H,2-5,10,12H2,1H3,(H,20,21,23)
InChIKeyBWVAFSUHXSNHCR-UHFFFAOYSA-N
XLogP3.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 166282636) is N-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide is COc1ccc2c(c1)CCC(C(=O)Nc1ccn(CC3CC3)n1)C2.
What is the InChIKey of N-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is BWVAFSUHXSNHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-24-17-7-6-14-10-16(5-4-15(14)11-17)19(23)20-18-8-9-22(21-18)12-13-2-3-13/h6-9,11,13,16H,2-5,10,12H2,1H3,(H,20,21,23).
What are the key properties of N-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 166282636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).