N-[(1-butylpyrazol-4-yl)methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride

C27H35ClN4O2 — CID 67183520

About N-[(1-butylpyrazol-4-yl)methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride

N-[(1-butylpyrazol-4-yl)methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride (PubChem CID 67183520) has the molecular formula C27H35ClN4O2 and a molecular weight of 483.06 g/mol. Its IUPAC name is N-[(1-butylpyrazol-4-yl)methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[(1-butylpyrazol-4-yl)methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride
• PubChem CID: 67183520
• Molecular Formula: C27H35ClN4O2
• Molecular Weight: 483.06 g/mol
• Exact Mass: 482.24
• IUPAC Name: N-[(1-butylpyrazol-4-yl)methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride
• SMILES: CCCCn1cc(CN(C(=O)C2CCCc3c(O)cccc32)c2ccc(C(C)C)nc2)cn1.Cl
• InChI: InChI=1S/C27H34N4O2.ClH/c1-4-5-14-30-17-20(15-29-30)18-31(21-12-13-25(19(2)3)28-16-21)27(33)24-10-6-9-23-22(24)8-7-11-26(23)32;/h7-8,11-13,15-17,19,24,32H,4-6,9-10,14,18H2,1-3H3;1H
• InChIKey: NMZLMPOLMUXWKK-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 71.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.06
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1-butylpyrazol-4-yl)methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride?

The IUPAC name of N-[(1-butylpyrazol-4-yl)methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride (CID 67183520) is N-[(1-butylpyrazol-4-yl)methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride.

What is the SMILES notation for N-[(1-butylpyrazol-4-yl)methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride?

The canonical SMILES for N-[(1-butylpyrazol-4-yl)methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride is CCCCn1cc(CN(C(=O)C2CCCc3c(O)cccc32)c2ccc(C(C)C)nc2)cn1.Cl.

What is the InChIKey of N-[(1-butylpyrazol-4-yl)methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride?

The InChIKey is NMZLMPOLMUXWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2.ClH/c1-4-5-14-30-17-20(15-29-30)18-31(21-12-13-25(19(2)3)28-16-21)27(33)24-10-6-9-23-22(24)8-7-11-26(23)32;/h7-8,11-13,15-17,19,24,32H,4-6,9-10,14,18H2,1-3H3;1H.

What are the key properties of N-[(1-butylpyrazol-4-yl)methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride?

N-[(1-butylpyrazol-4-yl)methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride has a molecular weight of 483.06 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-butylpyrazol-4-yl)methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride is sourced from PubChem (CID 67183520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).